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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | PHGDH | O43175 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 SCHEMBL28332928 | 0.88 | TSHR (0.70) | KMOTSHRDAONAPRTPHGDH | |
| Benzoic Acid SCHEMBL2471038 | 0.85 | TSHR (0.74) | KMOTSHRDAONAPRTMAPT | |
| Benzoic Acid SCHEMBL16631990 | 0.83 | TSHR (0.70) | KMOTSHRDAONAPRTHPGD | |
| Benzoic Acid SCHEMBL10918077 | 0.83 | ALDH1A1 (0.54) | KMOTSHRDAONAPRTPHGDH | |
| Benzoic Acid SCHEMBL11880899 | 0.83 | MAPT (0.54) | KMOTSHRDAONAPRTPHGDH | |
| Benzoic Acid SCHEMBL7591485 | 0.82 | TSHR (0.61) | KMOTSHRDAONAPRTPHGDH | |
| Benzoic Acid SCHEMBL1930836 | 0.79 | TSHR (0.64) | KMOTSHRDAONAPRTPHGDH | |
| Benzoic Acid SCHEMBL29054355 | 0.79 | TSHR (0.64) | KMOTSHRDAONAPRTPHGDH | |
| Benzoic Acid SCHEMBL28311743 | 0.79 | TSHR (0.64) | KMOTSHRDAONAPRTPHGDH | |
| Benzoic Acid SCHEMBL1930835 | 0.79 | TSHR (0.64) | KMOTSHRDAONAPRTPHGDH |
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-4077900-A | CYCLIC DIAMINO COMPOUND | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1978-03-07 | — | — | US | disclosed |