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 | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA6 | P23280 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
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 SCHEMBL1833791 | 0.94 | DAO (0.45) | DAOTSHRNAPRTMMP2HTR2A | |
| Phenol SCHEMBL1833980 | 0.89 | HRH1 (0.46) | MMP2CA12CA1CA2CA9 | |
| Phthalic Acid SCHEMBL1832573 | 0.82 | ALDH1A1 (0.45) | MMP2HTR2AHRH1DPP7 | |
| Salicylic Acid SCHEMBL1831848 | 0.80 | ALDH1A1 (0.51) | TSHRNAPRTMMP2CA12CA1 | |
| SCHEMBL1834618 | 0.77 | POLB (0.40) | MMP2HTR2AHRH1CES2CES1 | |
| Phenylacetic Acid SCHEMBL1833422 | 0.77 | AKR1B1 (0.52) | TSHRMMP2HTR2AHRH1CES2 | |
| Benzoic Acid SCHEMBL9736567 | 0.76 | TSHR (0.54) | DAOTSHRNAPRTMMP2ADRA2C | |
| SCHEMBL1836288 | 0.76 | ALDH1A1 (0.53) | TSHRMMP2HTR2AHRH1CES2 | |
| Bicarbonate SCHEMBL1829915 | 0.76 | GSR (0.45) | TSHRANPEPENPEP | |
| Bicarbonate SCHEMBL1832370 | 0.76 | GSR (0.45) | TSHRANPEPENPEP |
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 |
|---|---|---|---|---|---|---|---|
| EP-1805131-A2 | IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS | THE UNIVERSITY OF YORK (GB) | 2007-07-11 | — | — | EP | claimed |
| WO-2005097731-A2 | IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS | THE UNIVERSITY OF YORK (GB) | 2005-10-20 | — | — | WO | claimed |