Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Thiobenzoic 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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.39 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.37 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.37 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.37 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Thiobenzoic Acid SCHEMBL6688437 | 0.89 | ALDH1A1 (0.48) | ALDH1A1MAPTHSP90AA1HPGDKMT2A | |
| Thiobenzoic Acid SCHEMBL2591799 | 0.86 | MAPT (0.40) | ALDH1A1MAPTHSP90AA1LMNAXBP1 | |
| Thiobenzoic Acid SCHEMBL11610642 | 0.86 | ESR1 (0.50) | ALDH1A1MAPTLMNAKMT2AMEN1 | |
| Thiobenzoic Acid SCHEMBL28199536 | 0.86 | ALDH1A1 (0.50) | ALDH1A1MAPTHSP90AA1LMNASMN1; SMN2 | |
| Thiobenzoic Acid SCHEMBL160729 | 0.86 | ALDH1A1 (0.50) | ALDH1A1MAPTHSP90AA1LMNASMN1; SMN2 | |
| Thiobenzoic Acid SCHEMBL37018 | 0.86 | — | — | |
| Thiobenzoic Acid SCHEMBL15282156 | 0.86 | ALDH1A1 (0.50) | ALDH1A1MAPTHSP90AA1LMNASMN1; SMN2 | |
| Thiobenzoic Acid SCHEMBL23112247 | 0.84 | MAPT (0.39) | ALDH1A1MAPTHSP90AA1LMNAXBP1 | |
| Thiobenzoic Acid SCHEMBL28664075 | 0.83 | ALDH1A1 (0.50) | ALDH1A1MAPTHSP90AA1ATMHPGD | |
| Thiobenzoic Acid SCHEMBL28462559 | 0.83 | ALDH1A1 (0.50) | ALDH1A1MAPTHSP90AA1ATMHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4338207-A | DIISOBORNYLDIPHENYLAMINE AND A BENZYL 4-HYDROXYDITHIOBENZOATE | CHEVRON RESEARCH COMPANY (US) | 1982-07-06 | — | — | US | claimed |
| US-4338207-A | DIISOBORNYLDIPHENYLAMINE AND A BENZYL 4-HYDROXYDITHIOBENZOATE | CHEVRON RESEARCH COMPANY (US) | 1982-07-06 | — | — | US | disclosed |