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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR4 | Q13639 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11267173 | 0.89 | HRH3 (0.51) | HRH3SIGMAR1SLC6A3 | |
| Hydrochloric Acid SCHEMBL11281132 | 0.87 | HRH3 (0.43) | HRH3SIGMAR1SLC6A3 | |
| Benzoic Acid SCHEMBL11279017 | 0.80 | CA1 (0.36) | HRH3SLC6A3KMT2AGFERKCNH2 | |
| 4-Methylbenzoic Acid SCHEMBL11270545 | 0.79 | HRH3 (0.51) | HRH3SIGMAR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11285106 | 0.78 | HRH3 (0.44) | HRH3SIGMAR1SLC6A3KMT2AALDH1A1 | |
| Acetic Acid SCHEMBL11284447 | 0.74 | HRH3 (0.58) | HRH3SIGMAR1SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL7447525 | 0.73 | SLC6A3 (0.59) | HRH3SIGMAR1SLC6A3KMT2AALDH1A1 | |
| Acetic Acid SCHEMBL11270199 | 0.73 | LMNA (0.45) | SLC6A3KMT2AALDH1A1GFERCYP2D6 | |
| Hydrochloric Acid SCHEMBL11269423 | 0.72 | ALPL (0.59) | HRH3KMT2AALDH1A1MEN1 | |
| Propionic Acid SCHEMBL11271390 | 0.72 | HRH3 (0.56) | HRH3SIGMAR1SLC6A3KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4327022-A | Heterocyclic alkyl naphthols | STERLING DRUG INC. (US) | 1982-04-27 | — | — | US | disclosed |
| US-4169108-A | 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols | STERLING DRUG INC. (US) | 1979-09-25 | — | — | US | disclosed |