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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA3 | P07451 | 1/20 | 0.56 |
| ▸ | TYR | P14679 | 1/20 | 0.56 |
| ▸ | DRD1 | P21728 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CA6 | P23280 | 1/20 | 0.56 |
| ▸ | CA5A | P35218 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.56 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | RXRA | P19793 | 2/20 | 0.53 |
| ▸ | RXRB | P28702 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL28827747 | 1.00 | CA12 (0.56) | CA12CA1CA2CA3TYR | |
| Terephthalic Acid SCHEMBL8518865 | 0.92 | CA12 (0.67) | CA12CA1CA2CA3TYR | |
| SCHEMBL105270 | 0.83 | RXRA (0.62) | CA12CA1CA2CA3TYR | |
| Phenol SCHEMBL9831698 | 0.83 | ESR1 (0.56) | CA12CA1CA2CA3TYR | |
| Benzene SCHEMBL1602387 | 0.83 | ESR1 (0.62) | CA12CA1CA2CA3TYR | |
| Benzoic Acid SCHEMBL6368275 | 0.83 | CA12 (0.79) | CA12CA1CA2CA3TYR | |
| Benzoic Acid SCHEMBL1401757 | 0.83 | CA12 (0.79) | CA12CA1CA2CA3TYR | |
| Benzoic Acid SCHEMBL11706929 | 0.83 | TSHR (0.52) | DAOTSHRNAPRTRXRARXRB | |
| Phenol SCHEMBL28419232 | 0.82 | ESR1 (0.50) | CA12CA1CA2CA3TYR | |
| Benzoic Acid SCHEMBL29103369 | 0.81 | MAPT (0.57) | DAOTSHRNAPRTRXRARXRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1193280-B1 | POLYIMIDE RESIN COMPOSITION WITH IMPROVED MOISTURE RESISTANCE, ADHESIVE SOLUTION, FILMY BONDING MEMBER, LAYERED ADHESIVE FILM, AND PROCESSES FOR PRODUCING THESE | KANEKA CORP (JP) | 2004-11-24 | — | — | EP | claimed |