Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | DAO | P14920 | 1/20 | 0.61 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.61 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.51 |
| ▸ | KMO | O15229 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 SCHEMBL1785364 | 1.00 | TSHR (0.61) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL28488472 | 0.96 | TSHR (0.61) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL28441353 | 0.85 | TSHR (0.58) | TSHRDAONAPRTSRD5A2CES2 | |
| Biphenyl SCHEMBL10897390 | 0.83 | TSHR (0.61) | TSHRDAONAPRTSRD5A2CES2 | |
| Biphenyl SCHEMBL26606260 | 0.83 | TSHR (0.61) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL27642012 | 0.82 | TSHR (0.67) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL1786143 | 0.82 | TSHR (0.67) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL4089578 | 0.81 | TSHR (0.82) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL9456932 | 0.81 | TSHR (0.82) | TSHRDAONAPRTSRD5A2CES2 | |
| Benzoic Acid SCHEMBL4094227 | 0.81 | TSHR (0.82) | TSHRDAONAPRTSRD5A2CES2 |
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-4613442-A | OF TRIPHENYLMETHYL METHACRYLATE, FOR OPTICAL RESOLUTION | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1986-09-23 | — | — | US | disclosed |
| US-4511475-A | RESOLUTION OF RACEMIC MIXTURES WITH TRIPHENYLMETHYL METHACRYLATE POLYMER | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1985-04-16 | — | — | US | disclosed |
| US-4375495-A | TRIPHENYLMETHYL METHACRYLATE, HELICES | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1983-03-01 | — | — | US | disclosed |
| EP-0034337-A2 | A process for the optical resolution of a racemic mixture | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1981-08-26 | — | — | EP | disclosed |