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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.58 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.58 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PLA2G4B | P0C869 | 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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL8017354 | 0.96 | PRSS1 (0.63) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL633459 | 0.96 | PRSS1 (0.62) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL20548569 | 0.94 | ALDH1A1 (0.56) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL420818 | 0.92 | PRSS1 (0.68) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL6264048 | 0.92 | PRSS1 (0.68) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL3745080 | 0.90 | PRSS1 (0.66) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL571011 | 0.90 | PRSS1 (0.65) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| Benzoic Acid SCHEMBL28213326 | 0.90 | PRSS1 (0.48) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL2919384 | 0.89 | ALDH1A1 (0.62) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL28261553 | 0.89 | ALDH1A1 (0.61) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 |
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-107922797-A | Air and water resistance block piece product with porous layer and backing member | 3M创新有限公司 | 2018-04-17 | — | — | CN | disclosed |