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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.78 |
| ▸ | DAO | P14920 | 1/20 | 0.78 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.78 |
| ▸ | CES1 | P23141 | 4/20 | 0.64 |
| ▸ | CES2 | O00748 | 3/20 | 0.64 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | KMO | O15229 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
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 SCHEMBL3180940 | 0.92 | TSHR (0.82) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL23276980 | 0.90 | TSHR (0.70) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL1742371 | 0.90 | TSHR (0.70) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL21747702 | 0.90 | TSHR (0.70) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL976149 | 0.88 | TSHR (1.00) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL149318 | 0.88 | TSHR (1.00) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL407365 | 0.88 | TSHR (1.00) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL137419 | 0.88 | TSHR (1.00) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL7719037 | 0.88 | TSHR (1.00) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL975929 | 0.88 | TSHR (1.00) | TSHRDAONAPRTCES1CES2 |
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-4282114-A | TITANIUM TETRACHLORIDE, MAGNESIUM HALIDE, ORGANIC ACID ESTER, HYDROCARBON AND AN ALUMINUM COMPOUND | MITSUI TOATSU CHEMICALS, INC. (JP) | 1981-08-04 | — | — | US | disclosed |