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 | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 12/20 | 1.00 |
| ▸ | PRSS3 | P35030 | 8/20 | 1.00 |
| ▸ | PRSS2 | P07478 | 7/20 | 1.00 |
| ▸ | F2 | P00734 | 3/20 | 1.00 |
| ▸ | PLG | P00747 | 1/20 | 1.00 |
| ▸ | C1S | P09871 | 2/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | APEX1 | P27695 | 1/20 | 0.54 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.53 |
| ▸ | F10 | P00742 | 1/20 | 0.52 |
| ▸ | F12 | P00748 | 1/20 | 0.52 |
| ▸ | F7 | P08709 | 1/20 | 0.52 |
| ▸ | F3 | P13726 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.50 |
| ▸ | MASP2 | O00187 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.50 |
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 SCHEMBL5899967 | 1.00 | PRSS1 (1.00) | PRSS1PRSS3PRSS2F2PLG | |
| SCHEMBL231914 | 0.98 | PRSS1 (0.95) | PRSS1PRSS3PRSS2F2PLG | |
| Hydrochloric Acid SCHEMBL28555629 | 0.85 | PRSS1 (0.74) | PRSS1PRSS3PRSS2F2PLG | |
| Hydrochloric Acid SCHEMBL28253026 | 0.85 | PRSS1 (0.74) | PRSS1PRSS3PRSS2F2PLG | |
| Hydrochloric Acid SCHEMBL8207271 | 0.83 | PRSS1 (0.69) | PRSS1PRSS3PRSS2F2PLG | |
| SCHEMBL15547311 | 0.83 | PRSS1 (0.70) | PRSS1PRSS3PRSS2F2PLG | |
| SCHEMBL25744914 | 0.81 | PRSS1 (0.68) | PRSS1PRSS3PRSS2F2PLG | |
| Hydrochloric Acid SCHEMBL9792863 | 0.79 | PRSS1 (0.83) | PRSS1PRSS3PRSS2F2PLG | |
| 3-Aminobenzamide SCHEMBL8688920 | 0.77 | F2 (0.63) | PRSS1PRSS3PRSS2F2PLG | |
| Hydrochloric Acid SCHEMBL3909792 | 0.77 | PRSS1 (0.63) | PRSS1PRSS3PRSS2F2PLG |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010138084-A1 | CRYSTAL STRUCTURE OF CAP-FREE HUMAN eIF4E | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2010-12-02 | — | — | WO | claimed |
| CN-102264721-B | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INC. (US) | 2015-12-09 | — | — | CN | disclosed |
| US-20140113005-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-04-24 | — | — | US | disclosed |
| US-8410112-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-02 | — | — | US | disclosed |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | US | disclosed |
| CN-102264721-A | Compounds useful as inhibitors of ATR kinase | — | 2011-11-30 | — | — | CN | disclosed |
| EP-2370424-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010138084-A1 | CRYSTAL STRUCTURE OF CAP-FREE HUMAN eIF4E | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2010-12-02 | — | — | WO | disclosed |
| WO-2010054398-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-14 | — | — | WO | disclosed |
| EP-0976722-B1 | BENZAMIDINE DERIVATIVES | AJINOMOTO KK (JP) | 2009-03-11 | — | — | EP | disclosed |
| EP-0946523-A1 | FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 1999-10-06 | — | — | EP | disclosed |
| US-5939412-A | Bicyclic fibrinogen antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 1999-08-17 | — | — | US | disclosed |
| US-5866612-A | Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase | GLAXO WELLCOME INC. (US) | 1999-02-02 | — | — | US | disclosed |
| WO-1998028281-A1 | FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 1998-07-02 | — | — | WO | disclosed |
| WO-1998027093-A1 | COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-06-25 | — | — | WO | disclosed |
| US-5693636-A | Bicyclic fibrinogen antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 1997-12-02 | — | — | US | disclosed |
| EP-0593603-A1 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-04-27 | — | — | EP | disclosed |
| WO-1993000095-A2 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-01-07 | — | — | WO | disclosed |
| US-4605734-A | Basic derivatives of azo benzene | SHORTRIDGE DOUGLAS (GB) | 1986-08-12 | — | — | US | disclosed |
| US-4020268-A | Agarose containing affinity matrix materials | XEROX CORPORATION (US) | 1977-04-26 | — | — | 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 (2 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-20140113005-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | PRSS1 3460/4885PRSS3 4203/4885PRSS2 3399/4885 |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | PRSS1 3460/4885PRSS3 4203/4885PRSS2 3399/4885 |
“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.