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 | |
|---|---|---|---|---|
| ▸ | GRIN2D known ✓ | O15399 | 3/20 | 0.42 |
| ▸ | GRIN3B known ✓ | O60391 | 3/20 | 0.42 |
| ▸ | GRIN1 known ✓ | Q05586 | 3/20 | 0.42 |
| ▸ | GRIN2A known ✓ | Q12879 | 3/20 | 0.42 |
| ▸ | GRIN2B known ✓ | Q13224 | 3/20 | 0.42 |
| ▸ | GRIN2C known ✓ | Q14957 | 3/20 | 0.42 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 3/20 | 0.42 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | STAT6 | P42226 | 1/20 | 0.42 |
| ▸ | SLC47A1 | Q96FL8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1497395 | 0.98 | LMNA (0.43) | LMNATHRBPOLBBLMPMP22 | |
| SCHEMBL812661 | 0.73 | CYP2C9 (0.38) | LMNATHRBPOLBBLMPMP22 | |
| Hydrochloric Acid SCHEMBL11127087 | 0.73 | LMNA (0.48) | LMNATHRBPOLBBLMPMP22 | |
| Hydrochloric Acid SCHEMBL28056998 | 0.73 | LMNA (0.48) | LMNATHRBPOLBBLMPMP22 | |
| SCHEMBL4055790 | 0.72 | CYP2C9 (0.41) | LMNATHRBPOLBBLMPMP22 | |
| SCHEMBL3849728 | 0.71 | CYP2C9 (0.36) | LMNAGRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL2161255 | 0.71 | LMNA (0.58) | LMNATHRBPOLBBLMPMP22 | |
| SCHEMBL870113 | 0.70 | GRIN2D (0.46) | LMNATHRBPOLBBLMPMP22 | |
| SCHEMBL11774669 | 0.70 | GRIN2D (0.46) | LMNATHRBPOLBBLMPMP22 | |
| SCHEMBL546127 | 0.70 | CYP2C9 (0.39) | LMNATHRBPOLBBLMPMP22 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2163543-B1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2015-03-04 | — | — | EP | disclosed |
| US-8383622-B2 | Nitrogen-containing heterocyclic derivative having 11β-hydroxysteroid dehydrogenase type I inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2013-02-26 | — | — | US | disclosed |
| US-20100240659-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11SS-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2010-09-23 | — | — | US | disclosed |
| EP-2163543-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY | Shionogi&Co., Ltd. (JP) | 2010-03-17 | — | — | EP | disclosed |
| US-7659408-B2 | Pyrazole carboxamides as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 | Merck Sharp & Dhome Corp. (US) | 2010-02-09 | — | — | US | disclosed |
| EP-1653949-A4 | PYRAZOLE CARBOXAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 | MERCK & CO INC (US) | 2009-04-22 | — | — | EP | disclosed |
| US-20080153893-A1 | Pyrazole Carboxamides as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 | MERCK SHARP & DOHME CORP. | 2008-06-26 | — | — | US | disclosed |
| CN-1832741-A | Pyrazole carboxamides as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 | MERCK & CO INC (US) | 2006-09-13 | — | — | CN | disclosed |
| EP-1653949-A2 | PYRAZOLE CARBOXAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 | Merck & Co., Inc. (US) | 2006-05-10 | — | — | EP | disclosed |
| WO-2005016877-A2 | PYRAZOLE CARBOXAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 | MERCK & CO., INC. (US) | 2005-02-24 | — | — | 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 (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-20100240659-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11SS-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY | HSD11B1, HSD3B1, SRD5A1 | GRIN2D 1662/4885GRIN3B 1642/4885GRIN1 579/4885 |
| US-20080153893-A1 | Pyrazole Carboxamides as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 | HSD11B1, HSD17B1, HSD3B1 | GRIN2D 1378/4885GRIN3B 2692/4885GRIN1 937/4885 |
“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.