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 | |
|---|---|---|---|---|
| ▸ | PIK3CA known ✓ | P42336 | 2/20 | 0.39 |
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.36 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 3/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.37 |
| ▸ | ULK1 | O75385 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2497478 | 0.98 | KIF11 (0.51) | KIF11ADORA3ADORA2AADORA2BADORA1 | |
| Hydrochloric Acid SCHEMBL20502848 | 0.81 | KIF11 (0.46) | KIF11ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL11429096 | 0.78 | KIF11 (0.51) | KIF11SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL3359576 | 0.78 | KIF11 (0.47) | KIF11ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL21995852 | 0.75 | SMN1; SMN2 (0.57) | KIF11ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL12233658 | 0.74 | KIF11 (0.44) | KIF11ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL12510136 | 0.74 | ADORA3 (0.49) | KIF11ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL3526481 | 0.74 | KIF11 (0.44) | KIF11ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL5355240 | 0.74 | ALDH1A1 (0.47) | KIF11PIK3CACTNNB1WNT3AULK1 | |
| SCHEMBL2992571 | 0.74 | KIF11 (0.44) | KIF11ADORA3ADORA2AADORA2BADORA1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2895477-B1 | PYRAZOLE CARBOXAMIDE DERIVATIVES AS TAAR MODULATORS FOR USE IN THE TREATMENT OF SEVERAL DISORDERS, SUCH AS DEPRESSION, DIABETES AND PARKINSON'S DISEASE. | HOFFMANN LA ROCHE (CH) | 2017-11-01 | — | — | EP | disclosed |
| US-9487501-B2 | Pyrazole carboxamide compounds and uses thereof | HOFFMANN-LA ROCHE INC. (US) | 2016-11-08 | — | — | US | disclosed |
| EP-2718271-B1 | SUBSTITUTED BENZAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2015-08-12 | — | — | EP | disclosed |
| US-20150218131-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF | HOFFMANN-LA ROCHE INC. (US) | 2015-08-06 | — | — | US | disclosed |
| EP-2895477-A1 | PYRAZOLE CARBOXAMIDE DERIVATIVES AS TAAR MODULATORS FOR USE IN THE TREATMENT OF SEVERAL DISORDERS, SUCH AS DEPRESSION, DIABETES AND PARKINSON'S DISEASE | F. Hoffmann-La Roche AG (CH) | 2015-07-22 | — | — | EP | disclosed |
| US-9029370-B2 | Substituted benzamide derivatives | HOFFMANN-LA ROCHE INC. (US) | 2015-05-12 | — | — | US | disclosed |
| WO-2014041007-A1 | PYRAZOLE CARBOXAMIDE DERIVATIVES AS TAAR MODULATORS FOR USE IN THE TREATMENT OF SEVERAL DISORDERS, SUCH AS DEPRESSION, DIABETES AND PARKINSON'S DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2014-03-20 | — | — | WO | disclosed |
| US-20120316165-A1 | SUBSTITUTED BENZAMIDE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2012-12-13 | — | — | US | disclosed |
| US-7935722-B2 | Tetrahydrocarbazole derivatives useful as androgen receptor modulators | ELI LILLY AND COMPANY (US) | 2011-05-03 | — | — | US | disclosed |
| EP-1902026-B1 | TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) | LILLY CO ELI (US) | 2010-02-17 | — | — | EP | disclosed |
| US-20100022550-A1 | TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS | CELLECTIS (FR) | 2010-01-28 | — | — | US | disclosed |
| EP-1902026-A2 | TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) | ELI LILLY AND COMPANY (US) | 2008-03-26 | — | — | EP | disclosed |
| WO-2007002181-A2 | TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) | ELI LILLY AND COMPANY (US) | 2007-01-04 | — | — | 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 (3 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-20120316165-A1 | SUBSTITUTED BENZAMIDE DERIVATIVES | NPY4R, PER2, NPY1R | PIK3CA 1977/4885KIT 3039/4885HDAC4 275/4885 |
| US-20150218131-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF | HCRTR1, TAAR1, HCRTR2 | PIK3CA 3788/4885KIT 4438/4885HDAC4 1063/4885 |
| US-20100022550-A1 | TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS | AR, SHBG, CYP17A1 | PIK3CA 1764/4885KIT 472/4885HDAC4 1295/4885 |
“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.