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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | MYC | P01106 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Propanol SCHEMBL27261793 | 0.91 | TSHR (0.50) | TSHRNAPRTPOLBAKR1C3ALDH1A1 | |
| Propanol SCHEMBL27670522 | 0.89 | TSHR (0.49) | TSHRNAPRTPOLBAKR1C3ALDH1A1 | |
| Benzoic Acid SCHEMBL28407988 | 0.85 | TSHR (0.67) | TSHRNAPRTDAOALDH1A1ALOX15 | |
| Benzoic Acid SCHEMBL897140 | 0.85 | TSHR (0.67) | TSHRNAPRTDAOALDH1A1ALOX15 | |
| Benzoic Acid SCHEMBL27925052 | 0.85 | TSHR (0.67) | TSHRNAPRTDAOALDH1A1ALOX15 | |
| Phosphoric Acid SCHEMBL27864847 | 0.84 | TSHR (0.45) | TSHRNAPRTPOLBAKR1C3ALDH1A1 | |
| Benzoic Acid SCHEMBL11785134 | 0.83 | TSHR (0.64) | TSHRNAPRTDAOALDH1A1ALOX15 | |
| Terephthalic Acid SCHEMBL27476722 | 0.83 | ALDH1A1 (0.56) | TSHRNAPRTDAOPOLBAKR1C3 | |
| Ethylene Glycol SCHEMBL28111694 | 0.83 | TSHR (0.53) | TSHRNAPRTPOLBAKR1C3ALDH1A1 | |
| Butane SCHEMBL27416321 | 0.83 | TSHR (0.53) | TSHRNAPRTPOLBAKR1C3ALDH1A1 |
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-106770875-A | The method that grape wine Production area recognition is carried out based on metabolism group research meanses | 江南大学 | 2017-05-31 | — | — | CN | disclosed |