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 | 4/20 | 0.93 |
| ▸ | DAO | P14920 | 1/20 | 0.93 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.93 |
| ▸ | CES2 | O00748 | 3/20 | 0.74 |
| ▸ | CES1 | P23141 | 3/20 | 0.74 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.74 |
| ▸ | TP53 | P04637 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA3 | P07451 | 2/20 | 0.55 |
| ▸ | CA4 | P22748 | 2/20 | 0.55 |
| ▸ | CA6 | P23280 | 2/20 | 0.55 |
| ▸ | CA5A | P35218 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.55 |
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 SCHEMBL3474181 | 1.00 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL1000699 | 0.97 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL27914790 | 0.97 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL29229337 | 0.97 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL31520026 | 0.97 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL407365 | 0.97 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL3966600 | 0.97 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL976149 | 0.97 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL7719037 | 0.97 | TSHR (1.00) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL160564 | 0.97 | TSHR (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| CN-112752572-B | Inhalable solution compositions containing vilanterol tritoate and umeclidinium bromide | 广州谷森制药有限公司 | 2022-02-22 | — | — | CN | disclosed |
| CN-112752572-A | Inhalable solution compositions containing vilanterol tritoate and umeclidinium bromide | 上海谷森医药有限公司 | 2021-05-04 | — | — | CN | disclosed |