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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.39 |
| ▸ | ITGB3 known ✓ | P05106 | 2/20 | 0.37 |
| ▸ | ITGA2B known ✓ | P08514 | 2/20 | 0.37 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.35 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.35 |
| ▸ | GRIN2B known ✓ | Q13224 | 2/20 | 0.34 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1206291 | 0.98 | HTR2A (0.40) | HTR2AHTR2CHTR2BITGB3ITGA2B | |
| SCHEMBL31514914 | 0.98 | HTR2A (0.40) | HTR2AHTR2CHTR2BITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL22465809 | 0.85 | PNMT (0.53) | DRD2DRD3PNMTADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL4789548 | 0.85 | ASIC3 (0.53) | PLAUDRD2DRD3PNMTADRA2A | |
| SCHEMBL120623 | 0.82 | ASIC3 (0.55) | PLAUDRD2DRD3PNMTADRA2A | |
| SCHEMBL3240122 | 0.82 | PNMT (0.55) | DRD2DRD3PNMTADRA2AADRA2B | |
| SCHEMBL29867656 | 0.82 | ASIC3 (0.55) | PLAUDRD2DRD3PNMTADRA2A | |
| SCHEMBL28239129 | 0.82 | KDM4E (0.45) | ITGB3ITGA2BPLAUDRD2DRD3 | |
| Hydrochloric Acid SCHEMBL27919835 | 0.77 | KDM4E (0.47) | ITGB3ITGA2B | |
| SCHEMBL28959626 | 0.77 | PLAU (0.38) | PLAUDRD2DRD3HTR6PNMT |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10093624-B2 | NAMPT and ROCK inhibitors | ABBVIE INC. (US) | 2018-10-09 | — | — | US | disclosed |
| US-9302989-B2 | NAMPT and rock inhibitors | ABBVIE INC. (US) | 2016-04-05 | — | — | US | disclosed |
| US-20160031880-A1 | Nampt and Rock Inhibitors | ABBVIE INC. (US) | 2016-02-04 | — | — | US | disclosed |
| EP-2640698-A1 | NAMPT AND ROCK INHIBITORS | AbbVie Inc. (US) | 2013-09-25 | — | — | EP | disclosed |
| WO-2012067965-A1 | NAMPT AND ROCK INHIBITORS | ABBOTT LABORATORIES (US) | 2012-05-24 | — | — | WO | disclosed |
| US-20120122842-A1 | NAMPT AND ROCK INHIBITORS | ABBOTT LABORATORIES (US) | 2012-05-17 | — | — | US | disclosed |
| US-20080234252-A1 | Compounds Useful in Therapy | PFIZER INC | 2008-09-25 | — | — | US | disclosed |
| EP-1885713-A1 | 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS | Pfizer Limited (GB) | 2008-02-13 | — | — | EP | disclosed |
| WO-2006123242-A1 | 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS | PFIZER LIMITED (GB) | 2006-11-23 | — | — | 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 (4 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-10093624-B2 | NAMPT and ROCK inhibitors | NAMPT, NNMT, NADK | HTR2A 2205/4885HTR2C 3212/4885HTR2B 2824/4885 |
| US-20120122842-A1 | NAMPT AND ROCK INHIBITORS | NAMPT, NNMT, NME2 | HTR2A 2377/4885HTR2C 3577/4885HTR2B 3429/4885 |
| US-20080234252-A1 | Compounds Useful in Therapy | AVPR1A, AVPR1B, AVPR2 | HTR2A 563/4885HTR2C 501/4885HTR2B 255/4885 |
| US-20160031880-A1 | Nampt and Rock Inhibitors | NAMPT, NNMT, NME2 | HTR2A 2377/4885HTR2C 3577/4885HTR2B 3429/4885 |
“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.