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 | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 16/20 | 0.38 |
| ▸ | RXRB | P28702 | 10/20 | 0.38 |
| ▸ | RXRG | P48443 | 8/20 | 0.38 |
| ▸ | RARB | P10826 | 8/20 | 0.38 |
| ▸ | RARG | P13631 | 8/20 | 0.38 |
| ▸ | RARA | P10276 | 6/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6298069 | 0.85 | RARA (0.48) | RXRARARBRARGRARACYP26A1 | |
| SCHEMBL6294068 | 0.80 | CYP3A4 (0.36) | RXRARXRBRXRGRARBRARG | |
| SCHEMBL6297184 | 0.74 | RXRA (0.42) | RXRARXRBRXRGRARBRARG | |
| SCHEMBL6297186 | 0.74 | RXRA (0.42) | RXRARXRBRXRGRARBRARG | |
| SCHEMBL8140469 | 0.71 | CNR2 (0.40) | RXRARXRBRXRGRARBRARG | |
| Benzoic Acid SCHEMBL8558858 | 0.63 | RARA (0.44) | RXRARXRBRXRGRARBRARG | |
| SCHEMBL8671142 | 0.63 | RARB (0.58) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL8566205 | 0.63 | NPC1 (0.33) | RXRARXRBRXRGRARBRARG | |
| SCHEMBL6292852 | 0.63 | RARB (0.48) | RXRARXRBRXRGRARBRARG | |
| SCHEMBL15232237 | 0.62 | RXRA (0.65) | RXRARXRBRXRGRARBRARG |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5808124-A | BINDING TO RETINOID RECEPTORS | ALLERGAN (US) | 1998-09-15 | — | — | US | disclosed |
| US-5773594-A | TREATING SKIN DISORDERS, REDUCING SIDE EFFECTS OF OTHER RETINOIDS | ALLERGAN (US) | 1998-06-30 | — | — | US | disclosed |
| US-5763635-A | Tetrahydronaphthalene derivatives substituted in the 8 position with alkyhidene groups having retinoid and/or retinoid antagonist-like biological activity | ALLERGAN (US) | 1998-06-09 | — | — | US | disclosed |
| US-5747542-A | SKIN DISORDERS; ANTICANCER AGENTS | ALLERGAN (US) | 1998-05-05 | — | — | US | disclosed |
| US-5741896-A | O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity | ALLERGAN (US) | 1998-04-21 | — | — | US | disclosed |
| US-5723666-A | USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION | ALLERGAN (US) | 1998-03-03 | — | — | US | disclosed |