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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL15310 | 0.92 | — | — | |
| Bicarbonate SCHEMBL47913 | 0.92 | LMNA (0.50) | LMNAALDH1A1AKT1CA1CA2 | |
| Bicarbonate SCHEMBL325796 | 0.92 | LMNA (0.50) | LMNAALDH1A1AKT1CA1CA2 | |
| Bicarbonate SCHEMBL28734227 | 0.92 | LMNA (0.50) | LMNAALDH1A1AKT1CA1CA2 | |
| Bicarbonate SCHEMBL29150348 | 0.92 | LMNA (0.50) | LMNAALDH1A1AKT1CA1CA2 | |
| Bicarbonate SCHEMBL28169410 | 0.92 | LMNA (0.50) | LMNAALDH1A1AKT1CA1CA2 | |
| Bicarbonate SCHEMBL226943 | 0.92 | LMNA (0.50) | LMNAALDH1A1AKT1CA1CA2 | |
| Bicarbonate SCHEMBL21612732 | 0.92 | LMNA (0.50) | LMNAALDH1A1AKT1CA1CA2 | |
| Bicarbonate SCHEMBL20954184 | 0.92 | LMNA (0.50) | LMNAALDH1A1AKT1CA1CA2 | |
| Bicarbonate SCHEMBL10522904 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102643525-A | Special polycarbonate light-diffusion material for outer cover of LED (light-emitting diode) lamp and preparation method for same | NANJING TONGHUI NEW MATERIAL TECHNOLOGY CO LTD | 2012-08-22 | — | — | CN | disclosed |
| US-5110961-A | Opening oxirane ring; cobalt carbonyl complexed with tin, lead or cadmium by electroreduction | SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) | 1992-05-05 | — | — | US | disclosed |