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 | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.44 |
| ▸ | APAF1 | O14727 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | RGS12 | O14924 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 SCHEMBL28939236 | 1.00 | HSP90AA1 (0.44) | HSP90AA1APAF1MEN1RGS12MAPK1 | |
| Benzoic Acid SCHEMBL28733525 | 1.00 | HSP90AA1 (0.44) | HSP90AA1APAF1MEN1RGS12MAPK1 | |
| Benzoic Acid SCHEMBL28733567 | 1.00 | HSP90AA1 (0.44) | HSP90AA1APAF1MEN1RGS12MAPK1 | |
| Benzoic Acid SCHEMBL28733507 | 1.00 | HSP90AA1 (0.44) | HSP90AA1APAF1MEN1RGS12MAPK1 | |
| Benzoic Acid SCHEMBL28733695 | 1.00 | HSP90AA1 (0.44) | HSP90AA1APAF1MEN1RGS12MAPK1 | |
| Benzoic Acid SCHEMBL3031636 | 0.95 | CA2 (0.41) | CES2CES1SMN1; SMN2ALDH1A1HTT | |
| Benzoic Acid SCHEMBL3848714 | 0.95 | CA2 (0.41) | CES2CES1SMN1; SMN2ALDH1A1HTT | |
| Benzoic Acid SCHEMBL3848711 | 0.91 | KDM4E (0.39) | CES2CES1SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL28733533 | 0.87 | MEN1 (0.41) | HSP90AA1APAF1MEN1RGS12MAPK1 | |
| Bicarbonate SCHEMBL23698465 | 0.87 | ABCB11 (0.44) | HSP90AA1MEN1KMT2ASMN1; SMN2 |
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-114315728-A | Imidazole ionic liquid and application thereof in alcoholysis polymerization of 2, 5-furandicarboxylic acid ester | 中国科学院大连化学物理研究所 | 2022-04-12 | — | — | CN | claimed |
| CN-114315728-A | Imidazole ionic liquid and application thereof in alcoholysis polymerization of 2, 5-furandicarboxylic acid ester | 中国科学院大连化学物理研究所 | 2022-04-12 | — | — | CN | disclosed |