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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 13/20 | 0.69 |
| ▸ | OPRK1 known ✓ | P41145 | 11/20 | 0.69 |
| ▸ | OPRD1 known ✓ | P41143 | 10/20 | 0.59 |
| ▸ | OPRL1 | P41146 | 14/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL75647 | 0.98 | OPRL1 (0.71) | OPRL1OPRM1OPRK1OPRD1CYP3A4 | |
| SCHEMBL31740265 | 0.87 | OPRL1 (0.57) | OPRL1OPRM1OPRK1OPRD1CYP3A4 | |
| SCHEMBL31061425 | 0.81 | OPRM1 (1.00) | OPRL1OPRM1OPRK1OPRD1 | |
| Hydrochloric Acid SCHEMBL61570 | 0.79 | OPRM1 (0.51) | OPRL1OPRM1OPRK1OPRD1CYP3A4 | |
| SCHEMBL75677 | 0.77 | OPRM1 (0.53) | OPRL1OPRM1OPRK1OPRD1CYP3A4 | |
| Hydrochloric Acid SCHEMBL2951072 | 0.77 | NPSR1 (0.56) | OPRL1OPRM1OPRK1OPRD1CYP3A4 | |
| SCHEMBL28176312 | 0.74 | OPRM1 (0.51) | OPRL1OPRM1OPRK1OPRD1CYP3A4 | |
| SCHEMBL71724 | 0.74 | NPSR1 (0.57) | OPRL1OPRM1OPRK1OPRD1CYP3A4 | |
| SCHEMBL1368994 | 0.73 | OPRM1 (0.49) | OPRL1OPRM1OPRK1OPRD1CYP3A4 | |
| SCHEMBL14742155 | 0.73 | CYP3A4 (0.69) | OPRL1OPRM1OPRK1OPRD1CYP3A4 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1954277-B1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMA (US) | 2017-01-18 | — | — | EP | disclosed |
| EP-1948193-B1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMA (US) | 2015-01-07 | — | — | EP | disclosed |
| US-8637511-B2 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-28 | — | — | US | disclosed |
| CN-101316597-B | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMA | 2013-04-17 | — | — | CN | disclosed |
| US-20120142660-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-07 | — | — | US | disclosed |
| US-8129399-B2 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-06 | — | — | US | disclosed |
| US-20100310675-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-09 | — | — | US | disclosed |
| US-7767672-B2 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-03 | — | — | US | disclosed |
| US-20090181938-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-07-16 | — | — | US | disclosed |
| US-7528142-B2 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-05-05 | — | — | US | disclosed |
| CN-101316597-A | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMA (US) | 2008-12-03 | — | — | CN | disclosed |
| EP-1954277-A2 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | Vertex Pharmceuticals Incorporated (US) | 2008-08-13 | — | — | EP | disclosed |
| EP-1948193-A2 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2008-07-30 | — | — | EP | disclosed |
| US-20070259869-A1 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-11-08 | — | — | US | disclosed |
| US-20070249031-A1 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-25 | — | — | US | disclosed |
| WO-2007056221-A2 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-18 | — | — | WO | disclosed |
| WO-2007056164-A2 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-18 | — | — | 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 (5 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-20100310675-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | ABL1, PRKDC, MAP3K5 | OPRM1 4714/4885OPRK1 2473/4885OPRD1 4664/4885 |
| US-20070259869-A1 | Aminopyrimidines useful as kinase inhibitors | ABL1, PRKDC, MAP3K5 | OPRM1 4714/4885OPRK1 2473/4885OPRD1 4664/4885 |
| US-20120142660-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | ABL1, PRKDC, MAP3K5 | OPRM1 4714/4885OPRK1 2473/4885OPRD1 4664/4885 |
| US-20090181938-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | ABL1, PRKDC, MAP3K5 | OPRM1 4714/4885OPRK1 2473/4885OPRD1 4664/4885 |
| US-20070249031-A1 | Aminopyrimidines useful as kinase inhibitors | ABL1, PRKDC, MAP3K5 | OPRM1 4714/4885OPRK1 2473/4885OPRD1 4664/4885 |
“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.