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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
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 SCHEMBL28804106 | 0.78 | ALDH1A1 (0.54) | L3MBTL1ALDH1A1DAOTSHRNAPRT | |
| Benzoic Acid SCHEMBL31182419 | 0.78 | ALDH1A1 (0.54) | L3MBTL1ALDH1A1DAOTSHRNAPRT | |
| Benzoic Acid SCHEMBL21628086 | 0.75 | TSHR (0.56) | L3MBTL1ALDH1A1DAOTSHRNAPRT | |
| SCHEMBL29217264 | 0.75 | MAPT (0.71) | L3MBTL1ALDH1A1MAPTABCC4HTT | |
| SCHEMBL5333758 | 0.74 | ALDH1A1 (0.50) | L3MBTL1ALDH1A1MAPTABCC4SRD5A2 | |
| SCHEMBL8972989 | 0.73 | RARB (0.57) | L3MBTL1ALDH1A1MAPTTDP1KMT2A | |
| SCHEMBL3107799 | 0.73 | RARB (0.57) | L3MBTL1ALDH1A1MAPTTDP1KMT2A | |
| SCHEMBL3111116 | 0.73 | RARB (0.57) | L3MBTL1ALDH1A1MAPTTDP1KMT2A | |
| SCHEMBL7533900 | 0.73 | GPR52 (0.60) | ALDH1A1MAPTABCC4AKT1LMNA | |
| SCHEMBL3096780 | 0.73 | RARB (0.57) | L3MBTL1ALDH1A1MAPTTDP1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0137493-A2 | Improved process for the metathesis of alkenyl esters | QUANTUM CHEMICAL CORPORATION (a Virginia corp.) (US) | 1985-04-17 | — | — | EP | disclosed |
| US-4496758-A | REDUCED LEVELS OF TUNGSTEN HEXACHLORIDE-TETRABUTYLTIN CATALYST | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1985-01-29 | — | — | US | disclosed |