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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.58 |
| ▸ | CES2 | O00748 | 2/20 | 0.58 |
| ▸ | CES1 | P23141 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MITF | O75030 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | PTPN12 | Q05209 | 1/20 | 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 | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL9509478 | 0.91 | ALDH1A1 (0.70) | TDP1TP53CES2CES1ALDH1A1 | |
| 4-Nitrobenzoic Acid SCHEMBL5676990 | 0.87 | TDP1 (0.78) | TDP1TP53SRD5A2CES2CES1 | |
| Terephthalic Acid SCHEMBL27685585 | 0.87 | TDP1 (0.83) | TDP1TP53SRD5A2CES2CES1 | |
| Benzoic Acid SCHEMBL27557362 | 0.87 | TDP1 (0.83) | TDP1TP53SRD5A2CES2CES1 | |
| 4-Nitrobenzoic Acid SCHEMBL3850860 | 0.85 | TDP1 (0.88) | TDP1TP53SRD5A2CES2CES1 | |
| Acetamide SCHEMBL28079768 | 0.84 | MAPK1 (0.70) | TDP1SRD5A2CES2CES1ALDH1A1 | |
| Benzoic Acid SCHEMBL28376077 | 0.84 | TSHR (0.76) | TDP1TP53SRD5A2CES2CES1 | |
| Acetophenone SCHEMBL27557879 | 0.83 | MAPK1 (0.74) | TDP1TP53CES2CES1ALDH1A1 | |
| Benzamide SCHEMBL28188281 | 0.83 | TSHR (0.74) | TDP1TP53SRD5A2CES2CES1 | |
| Nitrobenzene SCHEMBL11331939 | 0.82 | ALDH1A1 (0.76) | TDP1TP53SRD5A2CES2CES1 |
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-107614190-A | Scaling powder and solder composition | 株式会社弘辉 | 2018-01-19 | — | — | CN | disclosed |