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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 10/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 10/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 10/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| Phthalic Acid SCHEMBL5551574 | 0.87 | HTT (0.51) | GRIN1GRIN2AGRIN2BHTT | |
| Benzoic Acid SCHEMBL9736567 | 0.84 | TSHR (0.54) | DAOTSHRNAPRT | |
| Salicylic Acid SCHEMBL5551628 | 0.82 | ALDH1A1 (0.51) | GRIN1GRIN2AGRIN2BTSHRNAPRT | |
| SCHEMBL5551164 | 0.82 | HTT (0.47) | GRIN1GRIN2AGRIN2BHTT | |
| Phenol SCHEMBL5552828 | 0.81 | LMNA (0.46) | GRIN1GRIN2AGRIN2BTSHR | |
| Phenylacetic Acid SCHEMBL5552813 | 0.81 | AKR1B1 (0.52) | GRIN1GRIN2AGRIN2BGRIA1HTT | |
| SCHEMBL5547296 | 0.81 | ALDH1A1 (0.53) | GRIN1GRIN2AGRIN2BHTT | |
| Benzoic Acid SCHEMBL20597161 | 0.81 | DAO (0.45) | GRIN1GRIN2AGRIN2BDAOTSHR | |
| Bicarbonate SCHEMBL5551073 | 0.80 | CA12 (0.56) | TSHR | |
| Benzoic Acid SCHEMBL164261 | 0.80 | TSHR (0.64) | DAOTSHRNAPRT |
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 |
|---|---|---|---|---|---|---|---|
| US-20070185330-A1 | Liquids | THE UNIVERSITY OF YORK (GB) | 2007-08-09 | — | — | US | claimed |
| EP-1805131-A2 | IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS | THE UNIVERSITY OF YORK (GB) | 2007-07-11 | — | — | EP | disclosed |
| WO-2005097731-A2 | IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS | THE UNIVERSITY OF YORK (GB) | 2005-10-20 | — | — | WO | disclosed |