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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.56 |
| ▸ | HSP90AA1 known ✓ | P07900 | 1/20 | 0.47 |
| ▸ | PPARG known ✓ | P37231 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CRHBP | P24387 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 7/20 | 0.46 |
| ▸ | PPARD | Q03181 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8919336 | 0.98 | NPC1 (0.57) | NPC1ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL9629255 | 0.81 | KDM4E (0.59) | ALDH1A1GAAMAPTKDM4EMEN1 | |
| SCHEMBL4685667 | 0.81 | NPC1 (0.58) | NPC1ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL13208575 | 0.80 | NPC1 (0.53) | NPC1ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL17340886 | 0.80 | NPC1 (0.47) | NPC1ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL19356276 | 0.80 | NPC1 (0.57) | NPC1ALDH1A1GAAMAPTKDM4E | |
| Hydrochloric Acid SCHEMBL4678249 | 0.80 | MAPT (0.58) | NPC1ALDH1A1GAAMAPTPPARA | |
| SCHEMBL6221868 | 0.79 | NPC1 (0.52) | NPC1ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL11926060 | 0.79 | NPC1 (0.56) | NPC1ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL6221150 | 0.79 | NPC1 (0.46) | NPC1ALDH1A1GAAMAPTKDM4E |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107001332-B | Piperidine derivatives | 豪夫迈·罗氏有限公司 | 2020-05-15 | — | — | CN | disclosed |
| US-20190307737-A1 | NOVEL PIPERIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2019-10-10 | — | — | US | disclosed |
| EP-3227282-B1 | NOVEL PIPERIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2019-04-03 | — | — | EP | disclosed |
| US-10172843-B2 | Piperidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2019-01-08 | — | — | US | disclosed |
| EP-3227282-A1 | NOVEL PIPERIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2017-10-11 | — | — | EP | disclosed |
| US-20170266175-A1 | NOVEL PIPERIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2017-09-21 | — | — | US | disclosed |
| CN-107001332-A | New piperidine derivative | 豪夫迈·罗氏有限公司 | 2017-08-01 | — | — | CN | disclosed |
| WO-2016087352-A1 | NOVEL PIPERIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2016-06-09 | — | — | WO | disclosed |
| CN-1816550-B | Indolyl derivatives substituted with a thiazole ring and their use as PPAR modulators | HOFFMANN LA ROCHE | 2010-04-28 | — | — | CN | disclosed |
| EP-1644368-B1 | INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS | HOFFMANN LA ROCHE (CH) | 2008-08-27 | — | — | EP | disclosed |
| US-7235572-B2 | Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents | HOFFMAN-LA ROCHE INC. (US) | 2007-06-26 | — | — | US | disclosed |
| CN-1816550-A | Indolyl derivatives substituted with a thiazole ring and their use as ppar modulators | HOFFMANN LA ROCHE (CH) | 2006-08-09 | — | — | CN | disclosed |
| EP-1644368-A1 | INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005005423-A1 | INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-20 | — | — | WO | disclosed |
| US-20050004187-A1 | Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents | HOFFMANN-LA ROCHE INC. | 2005-01-06 | — | — | 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 (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-20190307737-A1 | NOVEL PIPERIDINE DERIVATIVES | ADORA1, ADRA1D, ADORA2B | GAA 2833/4885HSP90AA1 670/4885PPARG 1178/4885 |
| US-20170266175-A1 | NOVEL PIPERIDINE DERIVATIVES | ADORA1, ADRA1D, ADORA2B | GAA 2833/4885HSP90AA1 670/4885PPARG 1178/4885 |
| US-10172843-B2 | Piperidine derivatives | ADRA1D, ADORA1, ADRA1A | GAA 2790/4885HSP90AA1 665/4885PPARG 859/4885 |
| US-20050004187-A1 | Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents | PPARD, PPARA, PPARG | GAA 3775/4885HSP90AA1 3173/4885PPARG 3/4885 |
“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.