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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 5/20 | 0.56 |
| ▸ | BCHE known ✓ | P06276 | 4/20 | 0.55 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.53 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.51 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.51 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 4/20 | 0.55 |
| ▸ | LTA4H | P09960 | 1/20 | 0.55 |
| ▸ | CCR3 | P51677 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
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 SCHEMBL20183286 | 1.00 | ACHE (0.56) | ACHEBCHEBACE1LTA4HCCR3 | |
| Hydrochloric Acid SCHEMBL2905438 | 1.00 | ACHE (0.56) | ACHEBCHEBACE1LTA4HCCR3 | |
| SCHEMBL14793661 | 0.98 | ACHE (0.58) | ACHEBCHEBACE1LTA4HCCR3 | |
| SCHEMBL330609 | 0.98 | ACHE (0.58) | ACHEBCHEBACE1LTA4HCCR3 | |
| SCHEMBL42501 | 0.98 | ACHE (0.58) | ACHEBCHEBACE1LTA4HCCR3 | |
| SCHEMBL239922 | 0.98 | ACHE (0.58) | ACHEBCHEBACE1LTA4HCCR3 | |
| Bromide SCHEMBL2899465 | 0.96 | ACHE (0.56) | ACHEBCHEBACE1LTA4HCCR3 | |
| Bromide SCHEMBL2495449 | 0.96 | ACHE (0.56) | ACHEBCHEBACE1LTA4HCCR3 | |
| Hydrochloric Acid SCHEMBL4221752 | 0.90 | CYP2D6 (0.64) | ACHEBCHEBACE1CCR3CYP1A2 | |
| Hydrochloric Acid SCHEMBL5266695 | 0.90 | CYP2D6 (0.64) | ACHEBCHEBACE1CCR3CYP1A2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8569294-B2 | 2-(cyclic amino)-pyrimidone derivatives | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2013-10-29 | — | — | US | disclosed |
| EP-2423207-A2 | 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors | Mitsubishi Tanabe Pharma Corporation (JP) | 2012-02-29 | — | — | EP | disclosed |
| EP-1379510-B1 | ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHEMOSENSITIZERS | ICOS CORP (US) | 2011-06-01 | — | — | EP | disclosed |
| EP-1491530-B1 | METHOD OF HEIGHTENING OPTICAL PURITY OF 1-BENZYL-3-AMINOPYRROLIDINE AND SALT FOR USE THEREIN | KANEKA CORP (JP) | 2010-08-11 | — | — | EP | disclosed |
| US-20100105683-A1 | COMPOUNDS USEFUL FOR INHIBITING CHK1 | KEEGAN KATHLEEN S | 2010-04-29 | — | — | US | disclosed |
| US-7608618-B2 | Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 | ICOS CORPORATION (US) | 2009-10-27 | — | — | US | disclosed |
| US-20090233918-A1 | 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-09-17 | — | — | US | disclosed |
| EP-2001863-A1 | 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS | Mitsubishi Tanabe Pharma Corporation (JP) | 2008-12-17 | — | — | EP | disclosed |
| US-20080255371-A1 | hydrobromic acid, methanesulfonic acid or acetic acid salt of l-benzyl-3-aminopyrrolidine, useful as a synthetic intermediate in medicines and agricultural chemicals | KANEKA CORPORATION (JP) | 2008-10-16 | — | — | US | disclosed |
| WO-2007119463-A1 | 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-10-25 | — | — | WO | disclosed |
| US-7268236-B2 | Method of heightening optical purity of 1-benzyl-3-aminopyrrolidine and salt for used therein | KANEKA CORPORATION (JP) | 2007-09-11 | — | — | US | disclosed |
| US-7067506-B2 | Compounds useful for inhibiting Chk1 | ICOS CORPORATION (US) | 2006-06-27 | — | — | US | disclosed |
| US-20050245525-A1 | Compounds useful for inhibiting CHK1 | ICOS CORPORATION (US) | 2005-11-03 | — | — | US | disclosed |
| US-20040249169-A1 | Method of heightening optical purity of 1-benzyl-3-aminopyrrolidine and salt for used therein | KANEKA CORPORATION (JP) | 2004-12-09 | — | — | US | disclosed |
| US-20030069284-A1 | Compounds useful for inhibiting Chk1 | ICOS CORPORATION (A WASHINGTON CORPORATION) | 2003-04-10 | — | — | US | 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-20100105683-A1 | COMPOUNDS USEFUL FOR INHIBITING CHK1 | CHEK1, PCNA, CHEK2 | ACHE 3429/4885BCHE 2630/4885SIGMAR1 4482/4885 |
| US-20050245525-A1 | Compounds useful for inhibiting CHK1 | CHEK1, PCNA, CHEK2 | ACHE 3429/4885BCHE 2630/4885SIGMAR1 4482/4885 |
| US-20080255371-A1 | hydrobromic acid, methanesulfonic acid or acetic acid salt of l-benzyl-3-aminopyrrolidine, useful as a synthetic intermediate in medicines and agricultural chemicals | ALAD, HPD, AASDHPPT | ACHE 1569/4885BCHE 730/4885SIGMAR1 2248/4885 |
| US-20090233918-A1 | 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES | MAPT, PRMT1, PSEN1 | ACHE 856/4885BCHE 1017/4885SIGMAR1 507/4885 |
| US-20040249169-A1 | Method of heightening optical purity of 1-benzyl-3-aminopyrrolidine and salt for used therein | NPEPPS, QDPR, REN | ACHE 1047/4885BCHE 1622/4885SIGMAR1 1338/4885 |
| US-20030069284-A1 | Compounds useful for inhibiting Chk1 | CHEK1, PCNA, CHEK2 | ACHE 3429/4885BCHE 2630/4885SIGMAR1 4482/4885 |
“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.