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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | DAO | P14920 | 1/20 | 0.61 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.61 |
| ▸ | CES1 | P23141 | 5/20 | 0.52 |
| ▸ | CES2 | O00748 | 4/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Tetrylammonium SCHEMBL160372 | 0.84 | TSHR (0.64) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL108981 | 0.84 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL28601772 | 0.84 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL28693411 | 0.84 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL9705228 | 0.84 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL2400344 | 0.84 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL238325 | 0.83 | CA2 (0.61) | TSHRDAONAPRTCES1CES2 | |
| Phthalic Acid SCHEMBL2453264 | 0.83 | ALDH1A1 (0.61) | NAPRTALDH1A1CHRM4CHRM1CHRM3 | |
| Benzoic Acid SCHEMBL871104 | 0.81 | TSHR (0.74) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL2762272 | 0.81 | TSHR (0.74) | TSHRDAONAPRTCES1CES2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8245493-A | — | — | None | — | — | JP | disclosed |
| JP-H08245493-A | COLD MOLTEN SALT | MITSUBISHI CHEM CORP | 1996-09-24 | — | — | JP | disclosed |
| EP-0543311-B1 | Electrolytic solution for electrolytic capacitor | NIPPON CHEMICON (JP) | 1995-06-28 | — | — | EP | disclosed |
| US-5338472-A | Mixture of g-butyrolactone and ethylene glycol with quaternary alkylammonium phthalate, maleate or benzoate as solute, also with colloidal silica | NIPPON CHEMI-CON CORPORATION (JP) | 1994-08-16 | — | — | US | disclosed |
| EP-0543311-A2 | Electrolytic solution for electrolytic capacitor | NIPPON CHEMI-CON CORPORATION (JP) | 1993-05-26 | — | — | EP | disclosed |