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 | |
|---|---|---|---|---|
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.54 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.54 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.54 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.54 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.54 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.54 |
| ▸ | PRKCQ known ✓ | Q04759 | 1/20 | 0.48 |
| ▸ | AVPR1A known ✓ | P37288 | 2/20 | 0.48 |
| ▸ | GRIN2D known ✓ | O15399 | 1/20 | 0.47 |
| ▸ | GRIN3B known ✓ | O60391 | 1/20 | 0.47 |
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.47 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.47 |
| ▸ | GRIN2C known ✓ | Q14957 | 1/20 | 0.47 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 1/20 | 0.47 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
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 SCHEMBL17557596 | 1.00 | PLD1 (0.56) | PLD1MEN1CYP2D6TSHRKMT2A | |
| SCHEMBL243658 | 0.98 | PLD1 (0.58) | PLD1MEN1CYP2D6TSHRKMT2A | |
| SCHEMBL29683564 | 0.98 | PLD1 (0.58) | PLD1MEN1CYP2D6TSHRKMT2A | |
| Hydrochloric Acid SCHEMBL1402090 | 0.90 | HRH4 (0.50) | PLD1HRH3NPC1HK1RAB9A | |
| Hydrochloric Acid SCHEMBL1402092 | 0.90 | HRH4 (0.50) | PLD1HRH3NPC1HK1RAB9A | |
| SCHEMBL3153901 | 0.88 | HRH4 (0.51) | PLD1MEN1CYP2D6TSHRKMT2A | |
| SCHEMBL3154404 | 0.88 | HRH4 (0.51) | PLD1MEN1CYP2D6TSHRKMT2A | |
| SCHEMBL3658830 | 0.88 | HRH4 (0.51) | PLD1MEN1CYP2D6TSHRKMT2A | |
| Trifluoroacetic Acid SCHEMBL3904463 | 0.84 | DPP4 (0.61) | TSHRHRH3KDM4EGPR119PRKCQ | |
| SCHEMBL9203045 | 0.82 | HTR1A (0.56) | HRH3 |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |
| US-20120004212-A1 | ORGANIC COMPOUNDS | NOVARTIS AG | 2012-01-05 | — | — | US | disclosed |
| US-20120004247-A1 | ORGANIC COMPOUNDS | NOVARTIS AG | 2012-01-05 | — | — | US | disclosed |
| US-7960380-B2 | Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators | ASTRAZENECA AB (SE) | 2011-06-14 | — | — | US | disclosed |
| EP-2322525-A1 | Purine derivatives for use as adenosin A2A receptor agonists | Novartis AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| US-20100286126-A1 | Organic Compounds | NOVARTIS AG (CH) | 2010-11-11 | — | — | US | disclosed |
| US-20100227847-A1 | Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators | ASTRAZENECA AB (SE) | 2010-09-09 | — | — | US | disclosed |
| US-7723333-B2 | Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators | ASTRAZENECA AB (SE) | 2010-05-25 | — | — | US | disclosed |
| CN-1810822-A | 2-aminocarbonyl-9h-purine derivatives | PFIZER (US) | 2006-08-02 | — | — | CN | disclosed |
| WO-2006073366-A1 | NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2006-07-13 | — | — | WO | disclosed |
| US-20060122145-A1 | 2-Aminocarbonyl-9H-purine derivatives | PFIZER INC | 2006-06-08 | — | — | US | disclosed |
| CN-1249074-C | 2-aminocarbonyl-9H-purine derivatives | PFIZER LTD (US) | 2006-04-05 | — | — | CN | 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 |
| CN-1434830-A | 2-aminocarbonyl-9H-purine derivatives | PFIZER LTD (US) | 2003-08-06 | — | — | CN | disclosed |
| EP-1292604-A1 | 2-AMINOCARBONYL-9H-PURINE DERIVATIVES | Pfizer Limited (GB) | 2003-03-19 | — | — | EP | disclosed |
| US-20020058641-A1 | 2-aminocarbonyl-9H-purine derivatives | PFIZER INC. | 2002-05-16 | — | — | US | disclosed |
| WO-2001094368-A1 | 2-AMINOCARBONYL-9H-PURINE DERIVATIVES | PFIZER LIMITED (GB) | 2001-12-13 | — | — | 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 (7 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 | HTR3E 998/4885HTR3B 586/4885HTR3A 477/4885 |
| US-20120004212-A1 | ORGANIC COMPOUNDS | CYP3A43, SLCO1B3, CYP2C19 | HTR3E 998/4885HTR3B 586/4885HTR3A 477/4885 |
| US-20060122145-A1 | 2-Aminocarbonyl-9H-purine derivatives | PNP, NUDT1, SLC29A2 | HTR3E 731/4885HTR3B 253/4885HTR3A 466/4885 |
| US-20040077584-A1 | 2-Aminocarbonyl-9H-purine derivatives | PNP, NUDT1, SLC29A2 | HTR3E 936/4885HTR3B 285/4885HTR3A 535/4885 |
| US-20100227847-A1 | Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators | NR1H2, NR1H3, NR1I2 | HTR3E 3420/4885HTR3B 2891/4885HTR3A 2688/4885 |
| US-20020058641-A1 | 2-aminocarbonyl-9H-purine derivatives | PNP, NUDT1, SLC29A1 | HTR3E 1111/4885HTR3B 322/4885HTR3A 532/4885 |
| US-20120004247-A1 | ORGANIC COMPOUNDS | CYP3A43, SLCO1B3, CYP2C19 | HTR3E 998/4885HTR3B 586/4885HTR3A 477/4885 |
“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.