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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.65 |
| ▸ | RAB9A | P51151 | 6/20 | 0.59 |
| ▸ | NPC1 | O15118 | 5/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| 4-Chloro-Benzoic Acid SCHEMBL9317094 | 0.90 | ALDH1A1 (0.58) | ALDH1A1RAB9ANPC1HPGDKMT2A | |
| SCHEMBL9317075 | 0.90 | ALDH1A1 (0.58) | ALDH1A1RAB9ANPC1HPGDKMT2A | |
| SCHEMBL9317188 | 0.90 | NPC1 (0.70) | ALDH1A1RAB9ANPC1HPGDKMT2A | |
| Acetic Acid SCHEMBL9317237 | 0.89 | NPC1 (0.65) | ALDH1A1RAB9ANPC1HPGDKMT2A | |
| SCHEMBL557621 | 0.88 | NPC1 (0.73) | ALDH1A1RAB9ANPC1HPGDKMT2A | |
| 4-Chloro-Benzoic Acid SCHEMBL9317407 | 0.87 | ALDH1A1 (0.58) | ALDH1A1RAB9ANPC1HPGDKMT2A | |
| SCHEMBL9316922 | 0.87 | ALDH1A1 (0.58) | ALDH1A1RAB9ANPC1HPGDKMT2A | |
| SCHEMBL9317189 | 0.86 | NPC1 (0.70) | ALDH1A1RAB9ANPC1HPGDKMT2A | |
| 4-Nitrobenzoic Acid SCHEMBL9318420 | 0.85 | MEN1 (0.62) | ALDH1A1RAB9ANPC1HPGDKMT2A | |
| N-Phenylbenzamide SCHEMBL25189486 | 0.85 | SIRT1 (0.67) | ALDH1A1RAB9ANPC1HPGDKMT2A |
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-5354514-A | Heating mixture of thioamide compound and copper- or lead-containing compound | JUJO PAPER CO., LTD. (JP) | 1994-10-11 | — | — | US | disclosed |