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 | 3/20 | 0.78 |
| ▸ | DAO | P14920 | 1/20 | 0.78 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.78 |
| ▸ | CES1 | P23141 | 4/20 | 0.64 |
| ▸ | CES2 | O00748 | 3/20 | 0.64 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | KMO | O15229 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA3 | P07451 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | CA6 | P23280 | 2/20 | 0.48 |
| ▸ | CA5A | P35218 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
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 SCHEMBL28537433 | 0.90 | TSHR (0.70) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL28397394 | 0.88 | TSHR (0.88) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL1378 | 0.88 | — | — | |
| Benzoic Acid SCHEMBL976149 | 0.88 | TSHR (1.00) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL2458489 | 0.88 | TSHR (1.00) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL11602198 | 0.88 | TSHR (1.00) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL3966600 | 0.88 | TSHR (1.00) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL407365 | 0.88 | TSHR (1.00) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL7719037 | 0.88 | TSHR (1.00) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL975929 | 0.88 | TSHR (1.00) | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112979978-A | Ultramicropore hydrophobic UiO-66 zirconium metal organic framework material and preparation method and application thereof | 中山大学 | 2021-06-18 | — | — | CN | claimed |
| EP-2468708-B1 | Catalytic decarboxylative cross-ketonisation of aryl- and alkylcarboxylic acids using iron catalysts | COGNIS IP MAN GMBH (DE) | 2016-11-09 | — | — | EP | claimed |
| EP-2468708-A1 | Catalytic decarboxylative cross-ketonisation of aryl- and alkylcarboxylic acids using iron catalysts | Cognis IP Management GmbH (DE) | 2012-06-27 | — | — | EP | claimed |
| CN-112979978-B | Ultramicropore hydrophobic UiO-66 zirconium metal organic framework material and preparation method and application thereof | 中山大学 | 2022-06-07 | — | — | CN | disclosed |
| CN-112979978-A | Ultramicropore hydrophobic UiO-66 zirconium metal organic framework material and preparation method and application thereof | 中山大学 | 2021-06-18 | — | — | CN | disclosed |
| CN-107400052-B | Synthesis method of methyl o-, m-and p-trifluoromethylbenzoate | 淄博飞源化工有限公司 | 2020-05-01 | — | — | CN | disclosed |
| EP-2468708-B1 | Catalytic decarboxylative cross-ketonisation of aryl- and alkylcarboxylic acids using iron catalysts | COGNIS IP MAN GMBH (DE) | 2016-11-09 | — | — | EP | disclosed |
| EP-2468708-A1 | Catalytic decarboxylative cross-ketonisation of aryl- and alkylcarboxylic acids using iron catalysts | Cognis IP Management GmbH (DE) | 2012-06-27 | — | — | EP | disclosed |