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 | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 3/20 | 0.38 |
| ▸ | CDK4 known ✓ | P11802 | 1/20 | 0.38 |
| ▸ | CDK6 known ✓ | Q00534 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 10/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CCND3 | P30281 | 1/20 | 0.38 |
| ▸ | CDK7 | P50613 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | CCNH | P51946 | 1/20 | 0.38 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.38 |
| ▸ | PARP11 | Q9NR21 | 2/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18936946 | 0.88 | MAPK1 (0.48) | MAPK1GSK3BATRKCNH2CCNT1 | |
| SCHEMBL12495632 | 0.85 | SMN1; SMN2 (0.43) | MAPK1GSK3BATRKCNH2MAPKAPK2 | |
| SCHEMBL12077714 | 0.84 | MAPK1 (0.43) | MAPK1GSK3BATRKCNH2MAPKAPK2 | |
| SCHEMBL18964377 | 0.81 | MAPK1 (0.43) | MAPK1GSK3BATRKCNH2MAPKAPK2 | |
| SCHEMBL18936966 | 0.80 | MAPK1 (0.48) | MAPK1GSK3BATRKCNH2MAPKAPK2 | |
| SCHEMBL12077869 | 0.80 | MAPK1 (0.46) | MAPK1GSK3BATRKCNH2MAPKAPK2 | |
| SCHEMBL12077884 | 0.80 | KCNH2 (0.44) | MAPK1ATRKCNH2 | |
| SCHEMBL18936992 | 0.80 | MAPK1 (0.43) | MAPK1ATRKCNH2MAPKAPK2CCNT1 | |
| SCHEMBL12495170 | 0.79 | MAPK1 (0.45) | MAPK1GSK3BATRKCNH2PARP10 | |
| SCHEMBL12495960 | 0.79 | KCNH2 (0.43) | MAPK1ATRKCNH2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2681206-B1 | MST1 KINASE INHIBITORS AND METHODS OF THEIR USE | LEXICON PHARMACEUTICALS INC (US) | 2017-06-14 | — | — | EP | disclosed |
| US-9255072-B2 | Pyrazole compounds and thiazole compounds as protein kinases inhibitors | National Health Rsearch Institutes (TW) | 2016-02-09 | — | — | US | disclosed |
| US-20140051681-A1 | MST1 KINASE INHIBITORS AND METHODS OF THEIR USE | LEXICON PHARMACEUTICALS, INC. | 2014-02-20 | — | — | US | disclosed |
| US-8440652-B2 | MST1 kinase inhibitors and methods of their use | LEXICON PHARMACEUTICALS, INC. (US) | 2013-05-14 | — | — | US | disclosed |
| US-20120225880-A1 | PYRAZOLE COMPOUNDS AND THIAZOLE COMPOUNDS AS PROTEIN KINASES INHIBITORS | NATIONAL HEALTH RESEARCH INSTITUTES (TW) | 2012-09-06 | — | — | US | disclosed |
| US-20120225857-A1 | MST1 KINASE INHIBITORS AND METHODS OF THEIR USE | OXFORD FINANCE LLC, AS COLLATERAL AGENT | 2012-09-06 | — | — | 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 (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-20140051681-A1 | MST1 KINASE INHIBITORS AND METHODS OF THEIR USE | MST1, STK10, STK3 | KCNH2 4765/4885CDK4 1150/4885CDK6 769/4885 |
| US-20120225880-A1 | PYRAZOLE COMPOUNDS AND THIAZOLE COMPOUNDS AS PROTEIN KINASES INHIBITORS | FLT4, AURKB, AURKA | KCNH2 2044/4885CDK4 26/4885CDK6 168/4885 |
| US-20120225857-A1 | MST1 KINASE INHIBITORS AND METHODS OF THEIR USE | MST1, STK10, STK3 | KCNH2 4765/4885CDK4 1150/4885CDK6 769/4885 |
“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.