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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.61 |
| ▸ | CES1 | P23141 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | RARB | P10826 | 5/20 | 0.49 |
| ▸ | NAAA | Q02083 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | RARA | P10276 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Nonanoamide SCHEMBL27583769 | 0.98 | CES2 (0.62) | CES2CES1TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL17799552 | 0.94 | CES2 (0.59) | CES2CES1TSHRDAONAPRT | |
| Octadecanoic Acid Amide SCHEMBL31472279 | 0.91 | TP53 (0.59) | TSHRRARBTP53PLA2G4BMEN1 | |
| Benzoic Acid SCHEMBL29261447 | 0.89 | SOAT1 (0.68) | TP53MEN1MAPTKMT2AKDM4E | |
| Oleamide SCHEMBL4833055 | 0.89 | SOAT1 (0.68) | TP53MEN1MAPTKMT2AKDM4E | |
| Terephthalic Acid SCHEMBL27926620 | 0.89 | TP53 (0.57) | TSHRRARBTP53PLA2G4BMEN1 | |
| Benzoic Acid SCHEMBL30453578 | 0.89 | TSHR (0.56) | CES2CES1TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL28845500 | 0.88 | TSHR (0.67) | CES2CES1TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL27413851 | 0.88 | TSHR (0.67) | CES2CES1TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL9594281 | 0.88 | TSHR (0.67) | CES2CES1TSHRDAONAPRT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113727973-A | Substituted amide compounds useful as farnesoid X receptor modulators | 百时美施贵宝公司 | 2021-11-30 | — | — | CN | claimed |
| CN-113727973-A | Substituted amide compounds useful as farnesoid X receptor modulators | 百时美施贵宝公司 | 2021-11-30 | — | — | CN | disclosed |