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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.51 |
| ▸ | DRD2 known ✓ | P14416 | 3/20 | 0.49 |
| ▸ | DRD3 known ✓ | P35462 | 2/20 | 0.46 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA4 | P22748 | 2/20 | 0.51 |
| ▸ | CA7 | P43166 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3156635 | 0.99 | ALDH1A1 (0.54) | ALDH1A1CA12CA1CA2CA4 | |
| Hydrochloric Acid SCHEMBL2883478 | 0.94 | LMNA (0.49) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL1401978 | 0.92 | CA12 (0.60) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL1402008 | 0.92 | CA12 (0.60) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL1401981 | 0.92 | CA12 (0.60) | ALDH1A1CA12CA1CA2CA4 | |
| Trifluoroacetic Acid SCHEMBL2889125 | 0.92 | DPP4 (0.50) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL4233864 | 0.87 | ALDH1A1 (0.54) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL4371640 | 0.87 | ALDH1A1 (0.54) | ALDH1A1CA12CA1CA2CA4 | |
| Trifluoroacetic Acid SCHEMBL2887069 | 0.86 | DPP4 (0.46) | ALDH1A1CA12CA1CA2CA4 | |
| Trifluoroacetic Acid SCHEMBL2891603 | 0.86 | DPP4 (0.46) | ALDH1A1CA12CA1CA2CA4 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6753322-B2 | 2-aminocarbonyl-9H-purine derivatives | PFIZER INC | 2004-06-22 | — | — | US | claimed |
| US-20040077584-A1 | 2-Aminocarbonyl-9H-purine derivatives | PFIZER INC | 2004-04-22 | — | — | US | claimed |
| US-20020058641-A1 | 2-aminocarbonyl-9H-purine derivatives | PFIZER INC. | 2002-05-16 | — | — | US | claimed |
| EP-2322525-B1 | Purine derivatives for use as adenosin A2A receptor agonists | NOVARTIS AG (CH) | 2013-09-18 | — | — | EP | disclosed |
| US-8318750-B2 | Organic compounds | NOVARTIS AG (NL) | 2012-11-27 | — | — | US | disclosed |
| US-8258141-B2 | Organic compounds | NOVARTIS AG (CH) | 2012-09-04 | — | — | US | disclosed |
| EP-1805181-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-08-29 | — | — | EP | disclosed |
| US-20100286126-A1 | Organic Compounds | NOVARTIS AG (CH) | 2010-11-11 | — | — | US | disclosed |
| EP-1292604-B1 | 2-AMINOCARBONYL-9H-PURINE DERIVATIVES | PFIZER LTD (GB) | 2009-05-13 | — | — | EP | disclosed |
| US-20090105476-A1 | Organic Compounds | NOVARTIS AG | 2009-04-23 | — | — | US | disclosed |
| EP-2013211-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | Novartis AG (CH) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007121921-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2007-11-01 | — | — | WO | disclosed |
| WO-2007121920-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2007-11-01 | — | — | WO | disclosed |
| EP-1805181-A1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS | Novartis AG (CH) | 2007-07-11 | — | — | EP | disclosed |
| US-7094769-B2 | 2-aminocarbonyl-9H-purine derivatives | PFIZER INC (US) | 2006-08-22 | — | — | US | disclosed |
| US-20060122145-A1 | 2-Aminocarbonyl-9H-purine derivatives | PFIZER INC | 2006-06-08 | — | — | US | disclosed |
| WO-2006045552-A1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2006-05-04 | — | — | WO | disclosed |
| US-6753322-B2 | 2-aminocarbonyl-9H-purine derivatives | PFIZER INC | 2004-06-22 | — | — | US | disclosed |
| US-20040077584-A1 | 2-Aminocarbonyl-9H-purine derivatives | PFIZER INC | 2004-04-22 | — | — | US | disclosed |
| US-20020058641-A1 | 2-aminocarbonyl-9H-purine derivatives | PFIZER INC. | 2002-05-16 | — | — | 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 (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-20100286126-A1 | Organic Compounds | CYP3A43, SLCO1B3, CYP2C19 | CA2 2138/4885DRD2 651/4885DRD3 282/4885 |
| US-20060122145-A1 | 2-Aminocarbonyl-9H-purine derivatives | PNP, NUDT1, SLC29A2 | CA2 2747/4885DRD2 582/4885DRD3 1013/4885 |
| US-20040077584-A1 | 2-Aminocarbonyl-9H-purine derivatives | PNP, NUDT1, SLC29A2 | CA2 2728/4885DRD2 671/4885DRD3 1134/4885 |
| US-20090105476-A1 | Organic Compounds | CYP3A43, SLCO1B3, CYP2C19 | CA2 2138/4885DRD2 651/4885DRD3 282/4885 |
| US-20020058641-A1 | 2-aminocarbonyl-9H-purine derivatives | PNP, NUDT1, SLC29A1 | CA2 2796/4885DRD2 748/4885DRD3 1152/4885 |
“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.