Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Benzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL607203 | 0.82 | IDO1 (0.46) | TDP1ACHEALDH1A1CYP1A2PPARG | |
| P-Xylene SCHEMBL3381226 | 0.73 | GAA (0.63) | CA2CA7TDP1GAAACHE | |
| Toluene SCHEMBL3973761 | 0.71 | ALOX12 (0.61) | CA2CA7TDP1GAABCHE | |
| SCHEMBL6832904 | 0.70 | IDO1 (0.42) | CA2TDP1ACHECYP1A2CA9 | |
| Toluene SCHEMBL7340462 | 0.69 | ALOX12 (0.58) | CA2CA7TDP1GAABCHE | |
| Toluene SCHEMBL2780838 | 0.69 | ALOX12 (0.58) | CA2CA7TDP1GAABCHE | |
| SCHEMBL252017 | 0.69 | EPHX1 (0.55) | CYP1A2 | |
| SCHEMBL4680122 | 0.69 | KMT2A (0.47) | CA2CA7TDP1GAABCHE | |
| P-Xylene SCHEMBL27914378 | 0.68 | GAA (0.63) | CA2CA7TDP1GAAACHE | |
| SCHEMBL9771341 | 0.68 | LMNA (0.48) | — |
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-1391278-A1 | VEHICLE USED TO APPLY CHEMICAL COMPOUNDS TO WOOD | Rodriguez Ramos, Rafael (ES) | 2004-02-25 | — | — | EP | disclosed |
| US-6673836-B2 | TO WOOD, TOLUENE, XYLENE, BENZOPHENONE, BUTYL GLYCOL, CETYL ACETATE AND METHANOL | RAMOS RAFAEL RODRIGUEZ (ES) | 2004-01-06 | — | — | US | disclosed |
| US-20030162781-A1 | Vehicle for applying chemical compounds on wood | RODRIGUEZ RAMOS RAFAEL (ES) | 2003-08-28 | — | — | US | disclosed |