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 | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.32 |
| ▸ | WNT3A | P56704 | 2/20 | 0.32 |
| ▸ | PHGDH | O43175 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6873324 | 0.78 | IDO1 (0.40) | RXRARXRBRXRGIDO1TDO2 | |
| SCHEMBL1274766 | 0.75 | NR4A2 (0.41) | IDO1TDO2PDE2AEPHX2 | |
| SCHEMBL6871164 | 0.72 | MAPK1 (0.39) | TRPM8HTTIDO1TDO2MAPK1 | |
| Benzoic Acid SCHEMBL3268032 | 0.69 | RORC (0.38) | RXRARXRBRXRGTRPM8HTT | |
| SCHEMBL3268036 | 0.66 | P2RX7 (0.38) | HTTRORCIDO1KDM4EHPGD | |
| SCHEMBL1988580 | 0.65 | CHRM1 (0.43) | RORCKDM4EMAPTPDE2A | |
| SCHEMBL6871857 | 0.63 | CHRM1 (0.41) | IDO1KDM4EMAPT | |
| SCHEMBL1697056 | 0.63 | MAPT (0.57) | HTTCTNNB1WNT3AKDM4EHPGD | |
| SCHEMBL10300769 | 0.61 | P2RX7 (0.38) | IDO1KDM4EMAPTKMT2APDE2A | |
| SCHEMBL16597393 | 0.61 | KDM4E (0.52) | HTTIDO1TDO2KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010022196-A2 | [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE | SANOFI-AVENTIS (FR) | 2010-02-25 | — | — | WO | disclosed |