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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | RARB | P10826 | 2/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | CTSG | P08311 | 1/20 | 0.39 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.39 |
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 SCHEMBL1786441 | 0.91 | DAO (0.44) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL5085460 | 0.90 | DAO (0.42) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL1785794 | 0.88 | TSHR (0.50) | KIF11TSHRDAONAPRTCES2 | |
| Benzoic Acid SCHEMBL16113280 | 0.85 | TSHR (0.44) | KIF11TSHRDAONAPRTCES2 | |
| Benzoic Acid SCHEMBL1073270 | 0.85 | TSHR (0.44) | KIF11TSHRDAONAPRTCES2 | |
| Benzoic Acid SCHEMBL4837242 | 0.84 | DAO (0.47) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28709202 | 0.81 | TSHR (0.40) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28284016 | 0.81 | TSHR (0.50) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL27565742 | 0.80 | PRSS1 (0.36) | KIF11TSHRDAONAPRTCES2 | |
| Benzoic Acid SCHEMBL1784685 | 0.80 | TSHR (0.45) | 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 |
|---|---|---|---|---|---|---|---|
| CN-104854206-A | Photocurable optical adhesive composition, cured product thereof, and liquid crystal display device | DAINIPPON INK & CHEMICALS | 2015-08-19 | — | — | CN | disclosed |