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 | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | KMO | O15229 | 1/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 SCHEMBL597061 | 0.96 | TSHR (0.56) | DAOTSHRNAPRTKMOSRD5A2 | |
| Benzoic Acid SCHEMBL975786 | 0.91 | TSHR (0.50) | DAOTSHRNAPRTKMOSRD5A2 | |
| Terephthalic Acid SCHEMBL27612294 | 0.88 | SRD5A2 (0.56) | TSHRKMOSRD5A2KMT2A | |
| Benzoic Acid SCHEMBL9666894 | 0.88 | TSHR (0.67) | DAOTSHRNAPRTKMOSRD5A2 | |
| Benzoic Acid SCHEMBL11708845 | 0.86 | RAB9A (0.48) | DAOTSHRNAPRTKMOKMT2A | |
| Isophthalic Acid SCHEMBL27861769 | 0.85 | KMO (0.62) | KMOKMT2ANPC1RAB9APOLB | |
| Benzophenone SCHEMBL11575706 | 0.85 | ALDH1A1 (0.56) | TSHRKMOSRD5A2KMT2AMCL1 | |
| Benzoic Acid SCHEMBL10631947 | 0.84 | DAO (0.42) | DAOTSHRNAPRTKMOSRD5A2 | |
| Benzoic Acid SCHEMBL10638250 | 0.82 | SRD5A2 (0.45) | DAOTSHRNAPRTKMOSRD5A2 | |
| Cyclohexylamine SCHEMBL8940507 | 0.82 | LMNA (0.44) | TSHRCHRM2CHRM1CHRM3KMT2A |
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-115074738-B | Environment-friendly multi-element composite vapor phase corrosion inhibitor and preparation method thereof | 山东国智新材料科技有限公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-115074738-A | Environment-friendly multi-component composite vapor phase corrosion inhibitor and preparation method thereof | 山东国智新材料科技有限公司 | 2022-09-20 | — | — | CN | disclosed |