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 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
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 SCHEMBL3266320 | 0.84 | TSHR (0.64) | TSHRDAONAPRTCES1CES2 | |
| Acetophenone SCHEMBL2405632 | 0.83 | SMN1; SMN2 (0.50) | CES1CES2AKT1ALDH1A1HPGD | |
| Benzoic Acid SCHEMBL9472196 | 0.83 | TSHR (0.61) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL7587585 | 0.83 | TSHR (0.61) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL30695876 | 0.83 | TSHR (0.61) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL971091 | 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 SCHEMBL28707679 | 0.81 | TSHR (0.58) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL11147183 | 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 |
|---|---|---|---|---|---|---|---|
| US-5092919-A | Pre- and postemergence herbicides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-03-03 | — | — | US | disclosed |