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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.70 |
| ▸ | DAO | P14920 | 1/20 | 0.70 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.70 |
| ▸ | CES2 | O00748 | 3/20 | 0.58 |
| ▸ | CES1 | P23141 | 3/20 | 0.58 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
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 SCHEMBL1110868 | 0.90 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL27469592 | 0.87 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL27874108 | 0.87 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28271515 | 0.87 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL3180940 | 0.87 | TSHR (0.82) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL27469373 | 0.85 | TSHR (0.70) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL27790289 | 0.84 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL10457491 | 0.84 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL9664197 | 0.84 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL11154585 | 0.84 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2510041-A1 | UV ABSORBING DENTRITIC POLYETHER PREPARED BY POLYMERIZATION OF OXETANES | DSM IP Assets B.V. (NL) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011070050-A1 | UV ABSORBING DENTRITIC POLYETHER PREPARED BY POLYMERIZATION OF OXETANES | DSM IP ASSETS B.V. (NL) | 2011-06-16 | — | — | WO | disclosed |