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 | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 11/20 | 0.44 |
| ▸ | RARB | P10826 | 11/20 | 0.44 |
| ▸ | RARG | P13631 | 11/20 | 0.44 |
| ▸ | RXRA | P19793 | 5/20 | 0.44 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 3/20 | 0.37 |
| ▸ | RXRG | P48443 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6294071 | 0.83 | TP53 (0.55) | RARARARBRARGRXRANR2E1 | |
| SCHEMBL8558861 | 0.80 | RARA (0.36) | RARARARBRARGRXRANR2E1 | |
| SCHEMBL7637372 | 0.77 | RARA (0.61) | RARARARBRARGCYP3A4 | |
| SCHEMBL6292938 | 0.77 | NPC1 (0.45) | RARARARBRARGRXRANR2E1 | |
| Benzoic Acid SCHEMBL6705165 | 0.77 | RARA (0.44) | RARARARBRARGRXRANR2E1 | |
| SCHEMBL6297202 | 0.75 | RARB (0.51) | RARARARBRARGRXRANR2E1 | |
| SCHEMBL8015896 | 0.73 | RXRA (0.59) | RARARARBRARGRXRARXRB | |
| SCHEMBL8015897 | 0.71 | RARA (0.61) | RARARARBRARGRXRANR2E1 | |
| SCHEMBL7637413 | 0.70 | RARB (0.70) | RARARARBRARGCYP3A4 | |
| SCHEMBL6292560 | 0.69 | RARA (0.68) | RARARARBRARGRXRANR2E1 |
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 |