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 | 3/20 | 0.67 |
| ▸ | DAO | P14920 | 1/20 | 0.67 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.67 |
| ▸ | CES2 | O00748 | 4/20 | 0.56 |
| ▸ | CES1 | P23141 | 4/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.56 |
| ▸ | AKT1 | P31749 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL4158962 | 0.98 | TSHR (0.70) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL9644655 | 0.98 | TSHR (0.70) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL1434863 | 0.98 | TSHR (0.70) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL21145058 | 0.95 | TSHR (0.67) | TSHRDAONAPRTCES2CES1 | |
| Terephthalic Acid SCHEMBL11664464 | 0.90 | TSHR (0.63) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL2921097 | 0.89 | TSHR (0.58) | TSHRDAONAPRTCES2CES1 | |
| Terephthalic Acid SCHEMBL15050 | 0.87 | TSHR (0.67) | TSHRDAONAPRTCES2CES1 | |
| Terephthalic Acid SCHEMBL28737896 | 0.87 | TSHR (0.67) | TSHRDAONAPRTCES2CES1 | |
| Terephthalic Acid SCHEMBL16470220 | 0.87 | TSHR (0.67) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL20574965 | 0.87 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4256856-A | A CROSSLINKED ELASTIC ETHYLENE-HEXAFLUOROPROPYLENE COPOLYMER HAVING RESISTANCE TO URANIUM HEXAFLUORIDE; SEALANTS, LININGS, PACKING; SHOCKPROOF | JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) | 1981-03-17 | — | — | US | disclosed |