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 | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.48 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.48 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.48 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.48 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.51 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.50 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL508419 | 0.98 | TSHR (0.56) | TSHRKEAP1FOLH1FFAR1FFAR4 | |
| SCHEMBL24435524 | 0.94 | TSHR (0.52) | TSHRKEAP1FOLH1FFAR1FFAR4 | |
| SCHEMBL24207916 | 0.94 | TSHR (0.52) | TSHRKEAP1FOLH1FFAR1FFAR4 | |
| SCHEMBL25358736 | 0.94 | TSHR (0.52) | TSHRKEAP1FOLH1FFAR1FFAR4 | |
| SCHEMBL26679505 | 0.88 | FOLH1 (0.49) | TSHRKEAP1FOLH1FFAR1FFAR4 | |
| SCHEMBL291194 | 0.86 | SMN1; SMN2 (0.57) | TSHRKEAP1FOLH1FFAR1FFAR4 | |
| SCHEMBL7708032 | 0.86 | TSHR (0.56) | TSHRKEAP1FOLH1SMN1; SMN2HTT | |
| SCHEMBL712393 | 0.85 | MAPT (0.56) | TSHRKEAP1FOLH1FFAR1FFAR4 | |
| SCHEMBL24756824 | 0.83 | SMN1; SMN2 (0.53) | TSHRKEAP1FOLH1FFAR1FFAR4 | |
| SCHEMBL22367410 | 0.83 | SMN1; SMN2 (0.53) | TSHRKEAP1FOLH1FFAR1FFAR4 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080161580-A1 | PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALEROAMIDES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND PROCESS FOR THE PRODUCTION AND THE USE | WESTERMANN JURGEN | 2008-07-03 | — | — | US | disclosed |
| US-7368568-B2 | Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for production and the use | BAYER SCHERING PHARMA AG (DE) | 2008-05-06 | — | — | US | disclosed |
| US-7271154-B2 | Antibiotic conjugates | MERCKLE GMBH (DE) | 2007-09-18 | — | — | US | disclosed |
| EP-1482957-A4 | ANTIBIOTIC CONJUGATES | MERCKLE GMBH (DE) | 2006-07-19 | — | — | EP | disclosed |
| US-20060069047-A1 | Antibiotic conjugates | MERCKLE GMBH (DE) | 2006-03-30 | — | — | US | disclosed |
| US-20050272731-A1 | Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for production and the use | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2005-12-08 | — | — | US | disclosed |
| US-6933385-B2 | Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for the production and the use | SCHERING AG (DE) | 2005-08-23 | — | — | US | disclosed |
| EP-1482957-A1 | ANTIBIOTIC CONJUGATES | Sympore GmbH (DE) | 2004-12-08 | — | — | EP | disclosed |
| US-20040033969-A1 | Antibiotic conjugates | MERCKLE GMBH (DE) | 2004-02-19 | — | — | US | disclosed |
| WO-2003070254-A1 | ANTIBIOTIC CONJUGATES | SYMPORE GMBH (DE) | 2003-08-28 | — | — | WO | disclosed |
| US-20030158412-A1 | Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for the production and the use | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-08-21 | — | — | US | disclosed |
| US-5457115-A | Treating anxiety, depression, sleep disorders, migranes, schizophrenia or Parkinson's disease in humans | H. LUNDBECK A/S (DK) | 1995-10-10 | — | — | US | disclosed |
| EP-0465398-B1 | Novel indole derivatives | LUNDBECK & CO AS H (DK) | 1994-12-14 | — | — | EP | disclosed |
| US-5322851-A | Indole derivatives | H. LUNDBECK A/S (DK) | 1994-06-21 | — | — | US | disclosed |
| US-5216001-A | Central nervous system disorders | H. LUNBECK A/S (DK) | 1993-06-01 | — | — | US | disclosed |
| US-5137918-A | Anticancer agent | GOEDECKE AKTIENGESELLSCHAFT (DE) | 1992-08-11 | — | — | US | disclosed |
| EP-0465398-A2 | Novel indole derivatives | H. LUNDBECK A/S (DK) | 1992-01-08 | — | — | EP | 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 (5 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-20060069047-A1 | Antibiotic conjugates | ABCB11, ABCB1, SLC22A16 | SLC6A3 807/4885HDAC3 567/4885ADRA1A 3206/4885 |
| US-20080161580-A1 | PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALEROAMIDES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND PROCESS FOR THE PRODUCTION AND THE USE | DHPS, VARS1, CYP51A1 | SLC6A3 2643/4885HDAC3 1246/4885ADRA1A 3574/4885 |
| US-20030158412-A1 | Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for the production and the use | DHPS, VARS1, CYP51A1 | SLC6A3 2643/4885HDAC3 1246/4885ADRA1A 3574/4885 |
| US-20050272731-A1 | Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for production and the use | DHPS, VARS1, HSD17B12 | SLC6A3 1696/4885HDAC3 2244/4885ADRA1A 4125/4885 |
| US-20040033969-A1 | Antibiotic conjugates | ABCB11, ABCB1, SLC22A16 | SLC6A3 661/4885HDAC3 490/4885ADRA1A 3251/4885 |
“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.