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 | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 5/20 | 0.45 |
| ▸ | RARG | P13631 | 4/20 | 0.45 |
| ▸ | RARA | P10276 | 3/20 | 0.45 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.45 |
| ▸ | BLVRB | P30043 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NR1I3 | Q14994 | 5/20 | 0.40 |
| ▸ | RXRA | P19793 | 5/20 | 0.40 |
| ▸ | TOP2A | P11388 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8771779 | 0.80 | RARB (0.69) | RARBRARGRARACYP26A1MEN1 | |
| SCHEMBL8981652 | 0.76 | RARA (0.69) | RARBRARGRARACYP26A1MEN1 | |
| SCHEMBL2061916 | 0.74 | BRD4 (0.45) | RARBRARGRARACYP26A1MEN1 | |
| SCHEMBL6292577 | 0.73 | RARB (0.51) | RARBRARGRARACYP26A1CYP3A4 | |
| SCHEMBL8771850 | 0.73 | CYP26A1 (0.47) | RARBRARGRARACYP26A1MEN1 | |
| SCHEMBL8886498 | 0.72 | KMT2A (0.58) | RARBRARGRARACYP26A1MEN1 | |
| SCHEMBL7235169 | 0.72 | BAZ2B (0.52) | NR1I3CA12CA1CA9 | |
| SCHEMBL2060867 | 0.71 | CA12 (0.41) | RARBRARGRARACYP26A1MEN1 | |
| SCHEMBL8635452 | 0.71 | LMNA (0.44) | RARBRARGRARACYP3A4ALDH1A1 | |
| SCHEMBL29921889 | 0.71 | CA12 (0.47) | PGRNR1I3CA12CA1CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5849923-A | Heterocyclic-substituted naphthalenyl retinobenzoic acid derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-12-15 | — | — | US | disclosed |