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 | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | CDC25B | P30305 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.35 |
| ▸ | PBK | Q96KB5 | 2/20 | 0.35 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.35 |
| ▸ | PFKFB4 | Q16877 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 SCHEMBL11283202 | 0.87 | NQO2 (0.41) | TAAR1NQO2ADRB2TSHRALDH1A1 | |
| SCHEMBL4752633 | 0.72 | ANPEP (0.58) | TAAR1MRGPRX4ALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL11287462 | 0.71 | KMT2A (0.45) | TAAR1ALDH1A1MEN1KMT2A | |
| SCHEMBL17363472 | 0.71 | TAAR1 (0.57) | TAAR1TSHRALDH1A1KMT2A | |
| Acetic Acid SCHEMBL11285074 | 0.70 | CYP2C9 (0.49) | TAAR1TSHRHSD17B10 | |
| SCHEMBL3388820 | 0.70 | CA12 (0.50) | NQO2CDC25BTSHRALDH1A1HSD17B10 | |
| Benzoic Acid SCHEMBL1899474 | 0.68 | TSHR (0.61) | TAAR1TSHRALDH1A1HSD17B10DAO | |
| Bromide SCHEMBL11287353 | 0.67 | CYP2C9 (0.44) | TAAR1TSHRHSD17B10 | |
| Propionic Acid SCHEMBL11276673 | 0.67 | HSD17B10 (0.46) | TAAR1ALDH1A1HSD17B10 | |
| SCHEMBL20718705 | 0.67 | PHGDH (0.39) | NQO2ADRB2CASP3CASP6AKR1B1 |
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 |