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 | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | DAO | P14920 | 1/20 | 0.61 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | KDM6B | O15054 | 1/20 | 0.52 |
| ▸ | KDM4A | O75164 | 1/20 | 0.52 |
| ▸ | KDM5C | P41229 | 1/20 | 0.52 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.52 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.52 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.52 |
| ▸ | MGAM | O43451 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Quinoxaline SCHEMBL11107849 | 0.93 | NAPRT (0.64) | NAPRTTSHRDAOCES2CES1 | |
| Quinoline SCHEMBL5874527 | 0.90 | ALDH1A1 (0.65) | NAPRTTSHRDAOCES2CES1 | |
| Quinoline SCHEMBL8930504 | 0.90 | ALDH1A1 (0.65) | NAPRTTSHRDAOCES2CES1 | |
| Benzophenone SCHEMBL29065284 | 0.87 | ALDH1A1 (0.61) | SRD5A2ALDH1A1KDM4EKMT2ALMNA | |
| Terephthalic Acid SCHEMBL27671578 | 0.86 | ALDH1A1 (0.65) | NAPRTTSHRDAOCES2CES1 | |
| Terephthalic Acid SCHEMBL27671577 | 0.86 | ALDH1A1 (0.65) | NAPRTTSHRDAOCES2CES1 | |
| Bicarbonate SCHEMBL8415063 | 0.84 | ALDH1A1 (0.52) | NAPRTTSHRCES2CES1ALDH1A1 | |
| Carbamic Acid SCHEMBL21437196 | 0.81 | ALDH1A1 (0.50) | NAPRTTSHRCES2CES1ALDH1A1 | |
| SCHEMBL626577 | 0.80 | MGAM (0.61) | TSHRALDH1A1APPGAAHCAR3 | |
| Dipyridyl SCHEMBL28117961 | 0.80 | KDM4E (0.75) | NAPRTTSHRDAOCES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108699065-B | Tricyclic compounds and compositions as kinase inhibitors | 诺华股份有限公司 | 2021-08-31 | — | — | CN | disclosed |