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 | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.37 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1740252 | 0.96 | MAPK1 (0.60) | MAPK1CYP2C19LPAR1FAAHP2RX7 | |
| SCHEMBL25199373 | 0.74 | MAPK1 (0.51) | MAPK1CYP2C19LPAR1FAAHP2RX7 | |
| SCHEMBL7417055 | 0.72 | MAPK1 (1.00) | MAPK1CYP2C19FAAHP2RX7HSD17B10 | |
| Benzoic Acid SCHEMBL2400344 | 0.67 | TSHR (0.78) | MAPK1DAOTSHRNAPRTMEN1 | |
| Benzoic Acid SCHEMBL28693411 | 0.67 | TSHR (0.78) | MAPK1DAOTSHRNAPRTMEN1 | |
| Benzoic Acid SCHEMBL28601772 | 0.67 | TSHR (0.78) | MAPK1DAOTSHRNAPRTMEN1 | |
| Benzoic Acid SCHEMBL9705228 | 0.67 | TSHR (0.78) | MAPK1DAOTSHRNAPRTMEN1 | |
| SCHEMBL18314645 | 0.66 | ADRB2 (0.52) | MAPK1CYP2C19FAAHHSD17B10MEN1 | |
| Benzoic Acid SCHEMBL871104 | 0.65 | TSHR (0.74) | MAPK1DAOTSHRNAPRTMEN1 | |
| Benzoic Acid SCHEMBL578126 | 0.65 | TSHR (0.74) | MAPK1DAOTSHRNAPRTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2389366-A1 | BENZODIAZEPIN-2-ON DERIVATIVES | MSD K.K. (JP) | 2011-11-30 | — | — | EP | disclosed |
| US-8040502-B2 | Optical inspection of flat media using direct image technology | WDI WISE DEVICE INC. (CA) | 2011-10-18 | — | — | US | disclosed |
| WO-2010084979-A1 | BENZODIAZEPIN-2-ON DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-07-29 | — | — | WO | disclosed |