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 | 0.88 |
| ▸ | DAO | P14920 | 1/20 | 0.88 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.88 |
| ▸ | CES2 | O00748 | 3/20 | 0.70 |
| ▸ | CES1 | P23141 | 3/20 | 0.70 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.70 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | PARP1 | P09874 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.60 |
| ▸ | BLM | P54132 | 1/20 | 0.60 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.54 |
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 SCHEMBL27721786 | 0.97 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL16486485 | 0.97 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL27673737 | 0.97 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL13388598 | 0.97 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL120680 | 0.97 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL202977 | 0.97 | TSHR (0.93) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL1000699 | 0.94 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL395154 | 0.94 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL10750788 | 0.94 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL999053 | 0.94 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104744627-B | Preparation and application of copper-zinc acrylate composite self-polishing antifouling resin | 中国科学院理化技术研究所 | 2016-08-17 | — | — | CN | claimed |
| CN-113631040-B | Compositions and methods for controlling plant pests and improving plant health | 农业生物群落股份有限公司 | 2023-07-07 | — | — | CN | disclosed |
| CN-104744627-B | Preparation and application of copper-zinc acrylate composite self-polishing antifouling resin | 中国科学院理化技术研究所 | 2016-08-17 | — | — | CN | disclosed |