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 | 0.69 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MASP2 | O00187 | 1/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 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 SCHEMBL19951017 | 1.00 | ALDH1A1 (0.69) | ALDH1A1KMT2ATSHRDAONAPRT | |
| Furfural SCHEMBL17671277 | 0.88 | ALDH1A1 (0.82) | ALDH1A1KMT2ATSHRPLA2G7HCAR2 | |
| Paraben SCHEMBL11409583 | 0.87 | ALDH1A1 (0.62) | ALDH1A1KMT2ATSHRPLA2G7HCAR2 | |
| Acetophenone SCHEMBL9862344 | 0.87 | ALDH1A1 (0.62) | ALDH1A1KMT2ATSHRPLA2G7HCAR2 | |
| Furfural SCHEMBL28255155 | 0.86 | ALDH1A1 (0.78) | ALDH1A1KMT2ATSHRPLA2G7HCAR2 | |
| Furfural SCHEMBL27529868 | 0.85 | ALDH1A1 (0.95) | ALDH1A1KMT2ATSHRPLA2G7HCAR2 | |
| Phthalic Acid SCHEMBL11697578 | 0.85 | ALDH1A1 (0.64) | ALDH1A1KMT2ATSHRPLA2G7HCAR2 | |
| Furfural SCHEMBL19951030 | 0.84 | ALDH1A1 (0.75) | ALDH1A1KMT2ATSHRPLA2G7HCAR2 | |
| Furfural SCHEMBL2441944 | 0.84 | ALDH1A1 (0.75) | ALDH1A1KMT2ATSHRPLA2G7HCAR2 | |
| SCHEMBL29634259 | 0.83 | ALDH1A1 (0.81) | ALDH1A1KMT2ATSHRPLA2G7HCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001028960-A1 | A RECOMBINANT URUSHI LACQUER AND A PROCESS FOR PREPARING THE SAME | KIM WOO SHIK (KR) | 2001-04-26 | — | — | WO | disclosed |