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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.66 |
| ▸ | LMNA | P02545 | 3/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | CNR2 | P34972 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
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 SCHEMBL8840787 | 0.99 | TSHR (0.68) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| Salicylic Acid SCHEMBL31387030 | 0.92 | TSHR (0.71) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| Salicylic Acid SCHEMBL28286211 | 0.92 | TSHR (0.71) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| SCHEMBL12095195 | 0.91 | TSHR (0.81) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| SCHEMBL88285 | 0.91 | TSHR (0.81) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| Salicylic Acid SCHEMBL996984 | 0.90 | ALDH1A1 (0.72) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| 2-Hydroxybenzoic Acid Hexyl Ester SCHEMBL28670575 | 0.90 | ALDH1A1 (0.72) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| Salicylic Acid SCHEMBL8927567 | 0.90 | ALDH1A1 (0.72) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| Salicylic Acid SCHEMBL8927788 | 0.90 | ALDH1A1 (0.72) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| Salicylic Acid SCHEMBL8927883 | 0.90 | ALDH1A1 (0.72) | TSHRCYP3A4MAPK1TP53ALDH1A1 |
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-102892399-B | Composition for external application to skin, cosmetic and cleansing agent | 日清奥利友集团株式会社 | 2016-11-09 | — | — | CN | disclosed |