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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 15/20 | 0.94 |
| ▸ | CA4 | P22748 | 2/20 | 0.94 |
| ▸ | CA1 | P00915 | 14/20 | 0.56 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
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 SCHEMBL16115635 | 0.97 | CA2 (1.00) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL823 | 0.97 | CA2 (1.00) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL6123440 | 0.97 | CA2 (1.00) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL29053363 | 0.97 | CA2 (1.00) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL28946409 | 0.97 | CA2 (1.00) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL27711371 | 0.97 | CA2 (1.00) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL431405 | 0.97 | CA2 (1.00) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL29175054 | 0.97 | CA2 (1.00) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL5865919 | 0.94 | CA2 (0.94) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL16872747 | 0.94 | CA2 (0.94) | CA2CA4CA1CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20190144627-A1 | CONTROLLED POLYMER FOAMING USING A HYBRID NUCLEATING AGENT FORMED FROM A MINERAL AND AN ORGANIC NUCLEATING AGENT | MAGRIS TALC USA, INC. | 2019-05-16 | — | — | US | disclosed |