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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C known ✓ | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.43 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 8/20 | 0.62 |
| ▸ | PRSS2 | P07478 | 4/20 | 0.62 |
| ▸ | PRSS3 | P35030 | 4/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | PLG | P00747 | 1/20 | 0.49 |
| ▸ | PLAU | P00749 | 1/20 | 0.49 |
| ▸ | PTGIR | P43119 | 1/20 | 0.48 |
| ▸ | C1S | P09871 | 1/20 | 0.48 |
| ▸ | ST14 | Q9Y5Y6 | 2/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 3/20 | 0.43 |
| ▸ | F10 | P00742 | 2/20 | 0.43 |
| ▸ | FURIN | P09958 | 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 | |
|---|---|---|---|---|
| SCHEMBL3368246 | 0.98 | PRSS1 (0.64) | PRSS1PRSS2PRSS3ALDH1A1PLG | |
| Hydrochloric Acid SCHEMBL427173 | 0.79 | PRSS1 (0.96) | PRSS1PRSS2PRSS3F2F10 | |
| Hydrochloric Acid SCHEMBL28548914 | 0.79 | PRSS1 (0.96) | PRSS1PRSS2PRSS3F2F10 | |
| Hydrochloric Acid SCHEMBL23541004 | 0.79 | PRSS1 (0.96) | PRSS1PRSS2PRSS3F2F10 | |
| Hydrochloric Acid SCHEMBL2570665 | 0.77 | PRSS1 (0.95) | PRSS1PRSS2PRSS3PLAUPTGIR | |
| SCHEMBL428920 | 0.77 | PRSS1 (1.00) | PRSS1PRSS2PRSS3PLGC1S | |
| Hydrochloric Acid SCHEMBL5702966 | 0.77 | PRSS1 (0.44) | PRSS1PRSS2PRSS3ALDH1A1PLG | |
| Hydrochloric Acid SCHEMBL23541347 | 0.75 | F2 (0.71) | PRSS1PRSS2PRSS3ST14F2 | |
| SCHEMBL3373995 | 0.74 | ALDH1A1 (0.52) | PRSS1PRSS2PRSS3ALDH1A1PDE4A | |
| SCHEMBL894796 | 0.74 | PARP1 (0.64) | PRSS1PRSS2PRSS3ALDH1A1PLAU |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1831180-B1 | PYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS | BRISTOL MYERS SQUIBB CO (US) | 2015-07-29 | — | — | EP | disclosed |
| EP-1441719-B1 | N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-03-30 | — | — | EP | disclosed |
| US-7803819-B2 | DPP IV inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2010-09-28 | — | — | US | disclosed |
| US-7589088-B2 | Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-15 | — | — | US | disclosed |
| US-7314884-B2 | non-insulin dependent diabetes mellitus, and impaired glucose tolerance; dipeptidyl peptidase IV (DPP-IV) inhibitors eg (2S)-1-{[(1S)-2-(5-cyano-2-methyl-indol-1-yl)-1-methyl-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile | HOFFMANN-LA ROCHE INC. (US) | 2008-01-01 | — | — | US | disclosed |
| US-20070259925-A1 | DPP IV INHIBITORS | BOEHRINGER MARKUS | 2007-11-08 | — | — | US | disclosed |
| EP-1831180-A2 | PYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS | Bristol-Myers Squibb Company (US) | 2007-09-12 | — | — | EP | disclosed |
| WO-2006071762-A2 | PYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-07-06 | — | — | WO | disclosed |
| US-20060142576-A1 | Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods | BRISTOL-MYERS SQUIBB COMPANY | 2006-06-29 | — | — | US | disclosed |
| US-6936609-B2 | Imidazotriazines for use as phosphodiesterase inhibitors | BAYER HEALTHCARE AG (DE) | 2005-08-30 | — | — | US | disclosed |
| US-20050096348-A1 | DPP IV inhibitors | BOEHRINGER MARKUS (CH) | 2005-05-05 | — | — | US | disclosed |
| US-6861440-B2 | DPP IV inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2005-03-01 | — | — | US | disclosed |
| US-20040249148-A1 | Imidazotriazines for use as phosphodiesterase inhibitors | BAYER HEALTHCARE AG (DE) | 2004-12-09 | — | — | US | disclosed |
| EP-1441719-A1 | N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-04 | — | — | EP | disclosed |
| EP-1404677-A1 | IMIDAZOTRIAZINES FOR USE AS PHOSPHODIESTERASE INHIBITORS | Bayer HealthCare AG (DE) | 2004-04-07 | — | — | EP | disclosed |
| US-20030130281-A1 | DPP IV inhibitors | HOFFMAN-LA ROCHE INC. | 2003-07-10 | — | — | US | disclosed |
| WO-2003037327-A1 | N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | F. HOFFMANN-LA-ROCHE AG (CH) | 2003-05-08 | — | — | WO | disclosed |
| WO-2003000693-A1 | IMIDAZOTRIAZINES FOR USE AS PHOSPHODIESTERASE INHIBITORS | BAYER HEALTHCARE AG (DE) | 2003-01-03 | — | — | 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-20060142576-A1 | Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods | DPP4, DPP9, DPP3 | PDE4A 817/4885PDE4B 729/4885PDE4C 1308/4885 |
| US-20040249148-A1 | Imidazotriazines for use as phosphodiesterase inhibitors | PDE3A, PDE2A, PDE4A | PDE4A 3/4885PDE4B 7/4885PDE4C 11/4885 |
| US-20070259925-A1 | DPP IV INHIBITORS | DPP4, DPP3, DPP7 | PDE4A 53/4885PDE4B 71/4885PDE4C 132/4885 |
| US-20030130281-A1 | DPP IV inhibitors | DPP4, DPP3, DPP7 | PDE4A 99/4885PDE4B 143/4885PDE4C 278/4885 |
| US-20050096348-A1 | DPP IV inhibitors | DPP4, DPP3, DPP7 | PDE4A 53/4885PDE4B 71/4885PDE4C 132/4885 |
“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.