Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.49 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.47 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.63 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10165816 | 0.98 | EPHX1 (0.65) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL4196587 | 0.90 | EPHX1 (0.55) | EPHX1ALDH1A1PARP1HDAC4 | |
| SCHEMBL14450277 | 0.86 | EPHX1 (0.68) | EPHX1CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL29854456 | 0.85 | EPHX1 (0.44) | EPHX1CA1CA2HPGDPARP1 | |
| SCHEMBL3911344 | 0.84 | EPHX1 (0.65) | EPHX1CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL2490699 | 0.83 | USP30 (0.53) | EPHX1CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL2490701 | 0.83 | USP30 (0.53) | EPHX1CA12CA1CA2CA9 | |
| Urea SCHEMBL28274810 | 0.83 | EPHX1 (0.68) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL17093544 | 0.82 | EPHX1 (0.63) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL23602645 | 0.82 | USP30 (0.54) | EPHX1CA12CA1CA2CA9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11440914-B2 | Tricyclic amine compounds as CDK2 inhibitors | INCYTE CORPORATION (US) | 2022-09-13 | — | — | US | disclosed |
| US-20200347067-A1 | TRICYCLIC AMINE COMPOUNDS AS CDK2 INHIBITORS | INCYTE CORPORATION | 2020-11-05 | — | — | US | disclosed |
| WO-2020223469-A1 | N-(1-(METHYLSULFONYL)PIPERIDIN-4-YL)-4,5-DI HYDRO-1H-IMIDAZO[4,5-H]QUINAZOLIN-8-AMINE DERIVATIVES AND RELATED COMPOUNDS AS CYCLIN-DEPENDENT KINASE 2 (CDK2) INHIBITORS FOR TREATING CANCER | INCYTE CORPORATION (US) | 2020-11-05 | — | — | WO | disclosed |
| EP-2379506-B1 | SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS | ARQULE INC (US) | 2015-09-02 | — | — | EP | disclosed |
| US-8357694-B2 | Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds | ARQULE, INC. (US) | 2013-01-22 | — | — | US | disclosed |
| US-8349827-B2 | Substituted dipyrido-pyrimido-diazepine and benzo-pyrido-pyrimido compounds | ARQULE, INC. (US) | 2013-01-08 | — | — | US | disclosed |
| US-8178672-B2 | Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 MAP kinase | ARQULE, INC. (US) | 2012-05-15 | — | — | US | disclosed |
| EP-2414360-A1 | SUBSTITUTED DIPYRIDO-PYRIMIDO-DIAZEPINE AND BENZO-PYRIDO-PYRIMIDO COMPOUNDS | ArQule, Inc. (US) | 2012-02-08 | — | — | EP | disclosed |
| EP-2379506-A1 | SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS | ArQule, Inc. (US) | 2011-10-26 | — | — | EP | disclosed |
| EP-2258704-A1 | Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase | ArQule, Inc. (US) | 2010-12-08 | — | — | EP | disclosed |
| US-20100239525-A1 | SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS | ARQULE, INC. (US) | 2010-09-23 | — | — | US | disclosed |
| WO-2010078421-A1 | SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE COMPOUNDS | ARQULE, INC. (US) | 2010-07-08 | — | — | WO | disclosed |
| US-20090136499-A1 | RAF Inhibitors and Uses Thereof | ARQULE, INC. (US) | 2009-05-28 | — | — | US | disclosed |
| US-20090111985-A1 | Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase | ARQULE, INC. | 2009-04-30 | — | — | US | disclosed |
| US-7501430-B2 | e.g. 3-{5-[2-({(3R)-1-[(4-chlorophenyl)sulfonyl]piperidin-3-yl}amino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl carbamate; antiproliferative, anticarcinogenic agent; cell proliferative disorders | ARQULE, INC. (US) | 2009-03-10 | — | — | US | disclosed |
| EP-2013218-A2 | RAF INHIBITORS AND THEIR USES | ARQULE, INC. (US) | 2009-01-14 | — | — | EP | disclosed |
| US-20070281955-A1 | RAF inhibitors and their uses | ARQULE, INC. | 2007-12-06 | — | — | US | disclosed |
| WO-2007123892-A2 | RAF INHIBITORS AND THEIR USES | ARQULE INC. (US) | 2007-11-01 | — | — | WO | disclosed |
| EP-1809636-A1 | SYNTHESIS OF IMIDAZOOXAZOLE AND IMIDAZOTHIAZOLE INHIBITORS OF P38 MAP KINASE | ARQULE, INC. (US) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006044869-A1 | SYNTHESIS OF IMIDAZOOXAZOLE AND IMIDAZOTHIAZOLE INHIBITORS OF P38 MAP KINASE | ARQULE, INC. (US) | 2006-04-27 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100239525-A1 | SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS | NQO1, DPYD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | CA2 3145/4885PARP1 265/4885HDAC4 912/4885 |
| US-20070281955-A1 | RAF inhibitors and their uses | BRAF, RAF1, ARAF | CA2 3033/4885PARP1 1290/4885HDAC4 719/4885 |
| US-20200347067-A1 | TRICYCLIC AMINE COMPOUNDS AS CDK2 INHIBITORS | CDK2, CDK1, CCNI | CA2 3001/4885PARP1 302/4885HDAC4 384/4885 |
| US-11440914-B2 | Tricyclic amine compounds as CDK2 inhibitors | CDK2, CDK1, CCNI | CA2 3001/4885PARP1 302/4885HDAC4 384/4885 |
| US-20090111985-A1 | Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase | MAPK1, MAPK14, MAPK15 | CA2 4046/4885PARP1 2528/4885HDAC4 1312/4885 |
| US-20090136499-A1 | RAF Inhibitors and Uses Thereof | BRAF, RAF1, ARAF | CA2 3116/4885PARP1 1490/4885HDAC4 709/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.