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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 7/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.47 |
| ▸ | NPC1 | O15118 | 6/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11582344 | 0.81 | POLB (0.39) | ALOX15RAB9ASMN1; SMN2NPC1TP53 | |
| SCHEMBL30405967 | 0.71 | NPC1 (0.72) | RAB9ASMN1; SMN2NPC1TP53ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7570563 | 0.69 | POLB (0.63) | RAB9ASMN1; SMN2NPC1TP53POLB | |
| Benzoic Acid SCHEMBL29101060 | 0.67 | TSHR (0.82) | TP53POLBALDH1A1 | |
| Benzoic Acid SCHEMBL30542970 | 0.67 | TSHR (0.82) | TP53POLBALDH1A1 | |
| Benzoic Acid SCHEMBL28284186 | 0.67 | TSHR (0.82) | TP53POLBALDH1A1 | |
| Benzoic Acid SCHEMBL4089578 | 0.67 | TSHR (0.82) | TP53POLBALDH1A1 | |
| Benzoic Acid SCHEMBL4094227 | 0.67 | TSHR (0.82) | TP53POLBALDH1A1 | |
| Benzoic Acid SCHEMBL9456932 | 0.67 | TSHR (0.82) | TP53POLBALDH1A1 | |
| Benzoic Acid SCHEMBL2805722 | 0.67 | TSHR (0.82) | TP53POLBALDH1A1 |
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-7300934-B2 | Benzamide nitriles | ROCHE PALO ALTO LLC (US) | 2007-11-27 | — | — | US | disclosed |