Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzoic 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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL9261231 | 0.98 | SMN1; SMN2 (0.57) | SMN1; SMN2ALDH1A1RECQLTAS2R14TSHR | |
| Benzil SCHEMBL2093919 | 0.87 | CES2 (0.68) | SMN1; SMN2ALDH1A1RECQLTSHRTDP1 | |
| Water SCHEMBL14660542 | 0.87 | SMN1; SMN2 (0.70) | SMN1; SMN2ALDH1A1RECQLTSHRTDP1 | |
| Benzamide SCHEMBL3944288 | 0.86 | CYP2D6 (0.55) | SMN1; SMN2ALDH1A1RECQLTSHRTDP1 | |
| Acetophenone SCHEMBL9253880 | 0.86 | RECQL (0.54) | SMN1; SMN2ALDH1A1RECQLTSHRTDP1 | |
| Sulfuric Acid SCHEMBL14660473 | 0.85 | SMN1; SMN2 (0.67) | SMN1; SMN2ALDH1A1RECQLTSHRTDP1 | |
| SCHEMBL28159010 | 0.85 | MEN1 (0.51) | SMN1; SMN2ALDH1A1RECQLTAS2R14TP53 | |
| SCHEMBL932442 | 0.85 | SMN1; SMN2 (0.73) | SMN1; SMN2ALDH1A1RECQLTSHRTDP1 | |
| SCHEMBL13836876 | 0.85 | SMN1; SMN2 (0.73) | SMN1; SMN2ALDH1A1RECQLTSHRTDP1 | |
| Toluene SCHEMBL180606 | 0.85 | SMN1; SMN2 (0.65) | SMN1; SMN2ALDH1A1RECQLTSHRTDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001028981-A1 | 1-CYCLOHEXENE-1-CARBOXYLIC ACID AND 1-CYCLOHEXENE-1-CARBOXYLATES AS NEURAMINIDASE INHIBITORS | ABBOTT LABORATORIES (US) | 2001-04-26 | — | — | WO | disclosed |