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 | |
|---|---|---|---|---|
| ▸ | STAT3 | P40763 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 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 | |
|---|---|---|---|---|
| SCHEMBL169846 | 0.85 | C5AR1 (0.44) | STAT3GAAALDH1A1SMN1; SMN2CA12 | |
| SCHEMBL28664754 | 0.84 | C5AR1 (0.43) | STAT3GAAALDH1A1SMN1; SMN2CA12 | |
| Ammonia Solution, Strong SCHEMBL12478377 | 0.84 | C5AR1 (0.43) | STAT3GAAALDH1A1SMN1; SMN2CA12 | |
| SCHEMBL9703417 | 0.83 | C5AR1 (0.43) | STAT3RECQLGAAALDH1A1SMN1; SMN2 | |
| SCHEMBL11282649 | 0.83 | CNR2 (0.47) | GAAALDH1A1SMN1; SMN2LMNACA12 | |
| Alcohol SCHEMBL11289368 | 0.83 | NPSR1 (0.42) | STAT3GAAALDH1A1SMN1; SMN2LMNA | |
| Alcohol SCHEMBL11280156 | 0.82 | CNR2 (0.43) | STAT3MAPTGAAALDH1A1LMNA | |
| Trimethylammonium SCHEMBL4908728 | 0.81 | C5AR1 (0.44) | STAT3MAPTGAAALDH1A1SMN1; SMN2 | |
| Bicarbonate SCHEMBL27924995 | 0.81 | CYP3A4 (0.44) | ALDH1A1SMN1; SMN2CA12CA1CA2 | |
| Acetic Acid SCHEMBL27510887 | 0.80 | MAPK1 (0.39) | ALDH1A1SMN1; SMN2CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008024826-A2 | RADIOHALOTHYMIDINES AND METHODS OF THEIR SYNTHESIS AND USE IN PET IMAGING OF CANCERS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2008-02-28 | — | — | WO | claimed |
| WO-2008024826-A2 | RADIOHALOTHYMIDINES AND METHODS OF THEIR SYNTHESIS AND USE IN PET IMAGING OF CANCERS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2008-02-28 | — | — | WO | disclosed |