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 | 11/20 | 0.76 |
| ▸ | CA4 | P22748 | 1/20 | 0.76 |
| ▸ | CES2 | O00748 | 4/20 | 0.48 |
| ▸ | CES1 | P23141 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 10/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 SCHEMBL3321929 | 0.92 | CA2 (0.89) | CA2CA4CES2CES1TSHR | |
| Benzoic Acid SCHEMBL11789341 | 0.89 | CA2 (0.94) | CA2CA4CES2CES1TSHR | |
| Benzoic Acid SCHEMBL28337190 | 0.87 | CA2 (0.80) | CA2CA4CES2CES1TSHR | |
| Benzoic Acid SCHEMBL27345977 | 0.87 | CA2 (0.90) | CA2CA4CES2CES1TSHR | |
| Benzoic Acid SCHEMBL11740323 | 0.87 | CA2 (0.80) | CA2CA4CES2CES1TSHR | |
| Benzoic Acid SCHEMBL158696 | 0.87 | CA2 (0.80) | CA2CA4CES2CES1TSHR | |
| Benzoic Acid SCHEMBL579255 | 0.87 | CA2 (0.89) | CA2CA4CES2CES1TSHR | |
| Benzoic Acid SCHEMBL457494 | 0.87 | CA2 (0.89) | CA2CA4CES2CES1TSHR | |
| Benzoic Acid SCHEMBL4525348 | 0.87 | CA2 (0.89) | CA2CA4CES2CES1TSHR | |
| Benzoic Acid SCHEMBL20570059 | 0.87 | CA2 (0.89) | CA2CA4CES2CES1TSHR |
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-20100082306-A1 | System and method of computing the nature of atoms and molecules using classical physical laws | BLACKLIGHT POWER, INC. | 2010-04-01 | — | — | US | disclosed |