Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.54 |
| ▸ | CES2 | O00748 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 SCHEMBL7533370 | 1.00 | CES1 (0.54) | CES1CES2ALDH1A1TSHRDAO | |
| Thiobenzoic Acid SCHEMBL10932123 | 0.95 | CES1 (0.50) | CES1CES2ALDH1A1TSHRDAO | |
| Thiobenzoic Acid SCHEMBL160729 | 0.86 | ALDH1A1 (0.50) | CES1CES2ALDH1A1TSHRDAO | |
| Thiobenzoic Acid SCHEMBL37018 | 0.86 | — | — | |
| Thiobenzoic Acid SCHEMBL15282156 | 0.86 | ALDH1A1 (0.50) | CES1CES2ALDH1A1TSHRDAO | |
| Thiobenzoic Acid SCHEMBL28199536 | 0.86 | ALDH1A1 (0.50) | CES1CES2ALDH1A1TSHRDAO | |
| Thiobenzoic Acid SCHEMBL11307864 | 0.84 | CES2 (0.67) | CES1CES2ALDH1A1KDM4EGAA | |
| Thiobenzoic Acid SCHEMBL28462559 | 0.83 | ALDH1A1 (0.50) | CES1CES2ALDH1A1TSHRDAO | |
| Thiobenzoic Acid SCHEMBL28664075 | 0.83 | ALDH1A1 (0.50) | CES1CES2ALDH1A1TSHRDAO | |
| Thiobenzoic Acid SCHEMBL284149 | 0.83 | ALDH1A1 (0.48) | CES1CES2ALDH1A1TSHRDAO |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100069252-A1 | EFFICIENT METHOD FOR PARTIAL SEQUENCING OF PEPTIDE/PROTEIN USING ACID OR BASE LABILE XANTHATES | CHIBBER BAKSHY AKSHAYKIRIT | 2010-03-18 | — | — | US | disclosed |
| WO-2008073599-A2 | EFFICIENT METHOD FOR PARTIAL SEQUENCING OF PEPTIDE/PROTEIN USING ACID OR BASE LABILE XANTHATES | OZONE RESEARCH FRONTIER LTD. (US) | 2008-06-19 | — | — | WO | disclosed |
| WO-1994002844-A1 | THIOBENZOYLATION METHOD OF PEPTIDE SEQUENCING WITH GAS CHROMATOGRAPHY AND MASS SPECTROMETRIC DETECTION | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1994-02-03 | — | — | WO | disclosed |
| US-5246865-A | Thiobenzoylation method of peptide sequencing with gas chromatography and mass spectrometric detection | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1993-09-21 | — | — | US | disclosed |