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 | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.45 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.39 |
| ▸ | IMPDH2 known ✓ | P12268 | 2/20 | 0.33 |
| ▸ | AOC1 | P19801 | 2/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KDM6B | O15054 | 1/20 | 0.39 |
| ▸ | KDM4A | O75164 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | EP300 | Q09472 | 1/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.38 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29956207 | 1.00 | GAA (0.45) | GAAAOC1AOC3KDM4EALDH1A1 | |
| SCHEMBL29958176 | 0.98 | GAA (0.46) | GAAAOC1AOC3KDM4EALDH1A1 | |
| SCHEMBL361105 | 0.98 | GAA (0.46) | GAAAOC1AOC3KDM4EALDH1A1 | |
| SCHEMBL1896645 | 0.80 | ALDH1A1 (0.45) | GAAAOC1AOC3KDM4EALDH1A1 | |
| SCHEMBL29957033 | 0.80 | ALDH1A1 (0.45) | GAAAOC1AOC3KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL15953194 | 0.76 | SIRT3 (0.44) | GAATDP1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL29954682 | 0.76 | SIRT3 (0.44) | GAATDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL248787 | 0.73 | SIRT3 (0.45) | GAATDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29628428 | 0.73 | SIRT3 (0.45) | GAATDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28376434 | 0.73 | KDM4E (0.38) | KDM4EALDH1A1TDP1MEN1KMT2A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2970289-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| US-20150291601-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) | 2015-10-15 | — | — | US | disclosed |
| US-8957078-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-17 | — | — | US | disclosed |
| US-20140275009-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2014-09-18 | — | — | US | disclosed |
| WO-2014143241-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-18 | — | — | WO | disclosed |
| US-8168802-B2 | Ring closing and related methods and intermediates | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2012-05-01 | — | — | US | disclosed |
| US-20110269965-A1 | Ring Closing and Related Methods and Intermediates | COLEY PHARMACEUTICAL GROUP, INC. (US) | 2011-11-03 | — | — | US | disclosed |
| WO-2007143526-A2 | SUBSTITUTED TETRAHYDROIMIDAZONAPHTHYRIDINES AND METHODS | COLEY PHARMACEUTICAL GROUP, INC. (US) | 2007-12-13 | — | — | WO | disclosed |
| EP-1863770-A2 | RING CLOSING AND RELATED METHODS AND INTERMEDIATES | Coley Pharmaceutical Group, Inc. (US) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006121528-A2 | RING CLOSING AND RELATED METHODS AND INTERMEDIATES | COLEY PHARMACEUTICAL GROUP, INC. (US) | 2006-11-16 | — | — | 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 (3 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-20110269965-A1 | Ring Closing and Related Methods and Intermediates | CYP11B1, CYP11B2, CYP2F1 | GAA 1592/4885GLA 1700/4885IMPDH2 1360/4885 |
| US-20150291601-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K20 | GAA 1292/4885GLA 4010/4885IMPDH2 1541/4885 |
| US-20140275009-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K20 | GAA 1292/4885GLA 4010/4885IMPDH2 1541/4885 |
“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.