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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 5/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| Terephthalic Acid SCHEMBL1333606 | 0.93 | TSHR (0.46) | TSHRTDP1MGLLSRD5A2ALDH1A1 | |
| Isophthalic Acid SCHEMBL3123384 | 0.90 | ALDH1A1 (0.46) | TSHRTDP1MGLLALDH1A1 | |
| Benzophenone SCHEMBL27841911 | 0.89 | TDP1 (0.50) | TDP1MGLLSRD5A2ALDH1A1GLA | |
| Benzil SCHEMBL13571700 | 0.89 | CES2 (0.50) | TDP1MGLLCES2CES1 | |
| Ethylene SCHEMBL2578968 | 0.88 | MGLL (0.51) | TDP1MGLLSRD5A2 | |
| Paraben SCHEMBL11333403 | 0.86 | CA2 (0.53) | TSHRTDP1MGLLSRD5A2ALDH1A1 | |
| Phthalic Acid SCHEMBL475362 | 0.86 | ALDH1A1 (0.50) | TDP1MGLLALDH1A1 | |
| Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL28184062 | 0.85 | NPC1 (0.52) | TSHRTDP1MGLL | |
| Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL19837666 | 0.85 | NPC1 (0.52) | TSHRTDP1MGLL | |
| SCHEMBL9009518 | 0.83 | TDP1 (0.57) | TSHRTDP1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113423794-A | Curable composition | 株式会社钟化 | 2021-09-21 | — | — | CN | disclosed |
| WO-2012036546-A1 | CURABLE LIQUID RESIN COMPOSITION FOR OUTERMOST COVERING LAYERS OF OPTICAL FIBER LINE | DSM IP ASSETS B.V. (NL) | 2012-03-22 | — | — | WO | disclosed |
| EP-2428498-A1 | Curable liquid resin composition for outermost covering layers of optical fiber line | DSM IP Assets B.V. (NL) | 2012-03-14 | — | — | EP | disclosed |