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 | 3/20 | 0.52 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.52 |
| ▸ | AKT1 | P31749 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 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 SCHEMBL9472196 | 0.87 | TSHR (0.61) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL3266320 | 0.84 | TSHR (0.64) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL971091 | 0.83 | TSHR (0.61) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL30695876 | 0.83 | TSHR (0.61) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL9740671 | 0.83 | TSHR (0.61) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL997600 | 0.81 | TSHR (0.74) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL27616171 | 0.81 | TSHR (0.74) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL11147183 | 0.81 | TSHR (0.58) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL28707677 | 0.81 | TSHR (0.58) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL2835761 | 0.81 | TSHR (0.58) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2002194161-A | VINYL CHLORIDE RESIN COMPOSITION | TOKUYAMA CORP | 2002-07-10 | — | — | JP | disclosed |