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 | 4/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28354348 | 0.94 | CYP2D6 (0.54) | TSHRCYP1A2CYP2D6CYP2C19TDP1 | |
| Benzoic Acid SCHEMBL28984654 | 0.83 | TSHR (0.58) | TSHRDAONAPRTCYP1A2CYP2D6 | |
| SCHEMBL1784403 | 0.83 | TSHR (0.49) | TSHRCYP1A2CYP2D6CYP2C19TDP1 | |
| Benzoic Acid SCHEMBL10978489 | 0.80 | TSHR (0.52) | TSHRDAONAPRTCYP1A2CYP2D6 | |
| SCHEMBL28970002 | 0.79 | CYP2D6 (0.54) | TSHRCYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL6948344 | 0.79 | ALDH1A1 (0.54) | TSHRCYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL11515477 | 0.78 | MAPT (0.49) | TSHRCYP1A2CYP2D6CYP2C19ALDH1A1 | |
| Benzoic Acid SCHEMBL5085502 | 0.77 | TSHR (0.58) | TSHRDAONAPRTCYP1A2CYP2D6 | |
| SCHEMBL1953844 | 0.77 | TSHR (0.59) | TSHRDAONAPRTCYP1A2CYP2D6 | |
| SCHEMBL1786261 | 0.77 | TSHR (0.59) | TSHRDAONAPRTCYP1A2CYP2D6 |
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-106608937-B | Catalytic component and its preparation method and application for olefinic polymerization | 中国石油化工股份有限公司 | 2019-04-19 | — | — | CN | claimed |
| CN-106608933-B | Catalytic component and its preparation method and application for olefinic polymerization | 中国石油化工股份有限公司 | 2019-03-26 | — | — | CN | claimed |