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 | 0.58 |
| ▸ | DAO | P14920 | 1/20 | 0.58 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.58 |
| ▸ | EGFR | P00533 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
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 SCHEMBL28197384 | 0.98 | TSHR (0.56) | TSHRDAONAPRTEGFRALDH1A1 | |
| Benzoic Acid SCHEMBL28196694 | 0.98 | TSHR (0.56) | TSHRDAONAPRTEGFRALDH1A1 | |
| Benzoic Acid SCHEMBL28197382 | 0.98 | TSHR (0.56) | TSHRDAONAPRTEGFRALDH1A1 | |
| Benzoic Acid SCHEMBL689795 | 0.83 | TSHR (0.64) | TSHRDAONAPRTEGFRALDH1A1 | |
| Benzoic Acid SCHEMBL28238462 | 0.82 | CA2 (0.57) | EGFRALDH1A1HIF1AKDM4EUSP2 | |
| Benzoic Acid SCHEMBL28237380 | 0.82 | CA2 (0.57) | EGFRALDH1A1HIF1AKDM4EUSP2 | |
| Benzoic Acid SCHEMBL28238464 | 0.82 | CA2 (0.57) | EGFRALDH1A1HIF1AKDM4EUSP2 | |
| Benzoic Acid SCHEMBL1110868 | 0.82 | TSHR (0.78) | TSHRDAONAPRTALDH1A1CES2 | |
| Benzoic Acid SCHEMBL7547475 | 0.81 | TSHR (0.61) | TSHRDAONAPRTEGFRALDH1A1 | |
| Benzoic Acid SCHEMBL28271515 | 0.80 | TSHR (0.74) | TSHRDAONAPRTALDH1A1CES2 |
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-108349871-B | N, N-dimethyl glycine organic acid composite salt, composition and application thereof | 广州英赛特生物技术有限公司 | 2021-03-19 | — | — | CN | disclosed |