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 | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.68 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.68 |
| ▸ | BAX | Q07812 | 1/20 | 0.68 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.66 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.60 |
| ▸ | CA12 | O43570 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | CA3 | P07451 | 1/20 | 0.60 |
| ▸ | TYR | P14679 | 1/20 | 0.60 |
| ▸ | DRD1 | P21728 | 1/20 | 0.60 |
| ▸ | CA4 | P22748 | 1/20 | 0.60 |
| ▸ | CA6 | P23280 | 1/20 | 0.60 |
| ▸ | CA5A | P35218 | 1/20 | 0.60 |
| ▸ | CA7 | P43166 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 1/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.60 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.60 |
| ▸ | DAO | P14920 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL633482 | 0.91 | CA1 (0.73) | LTA4HNR1H2BAXSRD5A2CA12 | |
| Benzoic Acid SCHEMBL3021235 | 0.89 | SRD5A2 (0.80) | SRD5A2AKR1C3CA1CA2DAO | |
| Isophthalic Acid SCHEMBL10484895 | 0.89 | AKR1C3 (0.73) | LTA4HNR1H2BAXSRD5A2AKR1C3 | |
| Diphenylether SCHEMBL1926311 | 0.87 | SRD5A2 (0.76) | LTA4HNR1H2BAXSRD5A2AKR1C3 | |
| Benzoic Acid SCHEMBL6368275 | 0.87 | CA12 (0.79) | SRD5A2CA12CA1CA2CA3 | |
| Benzoic Acid SCHEMBL1401757 | 0.87 | CA12 (0.79) | SRD5A2CA12CA1CA2CA3 | |
| SCHEMBL24421578 | 0.86 | SRD5A2 (0.69) | LTA4HNR1H2BAXSRD5A2MEN1 | |
| SCHEMBL7938036 | 0.86 | SRD5A2 (0.69) | LTA4HNR1H2BAXSRD5A2MEN1 | |
| SCHEMBL24421676 | 0.86 | SRD5A2 (0.69) | LTA4HNR1H2BAXSRD5A2MEN1 | |
| SCHEMBL18401385 | 0.86 | SRD5A2 (0.69) | LTA4HNR1H2BAXSRD5A2MEN1 |
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-5053555-A | Flexible spacers in liquid crystalline aromatic polyesters | GENERAL ELECTRIC COMPANY (US) | 1991-10-01 | — | — | US | disclosed |
| US-4873371-A | REACTING A DIHYDROXYAROMATIC COMPOUND WITH AN ARYLCARBONYL COMPOUND, OXIDATION, HYDROLYSIS | GENERAL ELECTRIC COMPANY (US) | 1989-10-10 | — | — | US | disclosed |