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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.62 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.62 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | HTT | P42858 | 3/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.56 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.56 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | GGT1 | P19440 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
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 SCHEMBL21812140 | 1.00 | ALDH1A1 (0.62) | ALDH1A1KMT2APTK2BHCRTR1KDM4E | |
| Bicarbonate SCHEMBL29943568 | 1.00 | ALDH1A1 (0.62) | ALDH1A1KMT2APTK2BHCRTR1KDM4E | |
| Bicarbonate SCHEMBL237486 | 1.00 | ALDH1A1 (0.62) | ALDH1A1KMT2APTK2BHCRTR1KDM4E | |
| Benzene SCHEMBL27314454 | 0.98 | ALDH1A1 (0.65) | ALDH1A1KMT2APTK2BHCRTR1KDM4E | |
| SCHEMBL124831 | 0.98 | ALDH1A1 (0.65) | ALDH1A1KMT2APTK2BHCRTR1KDM4E | |
| Water SCHEMBL9316910 | 0.96 | ALDH1A1 (0.62) | ALDH1A1KMT2APTK2BHCRTR1KDM4E | |
| Hydrochloric Acid SCHEMBL3529351 | 0.96 | ALDH1A1 (0.62) | ALDH1A1KMT2APTK2BHCRTR1KDM4E | |
| SCHEMBL11412997 | 0.96 | ALDH1A1 (0.62) | ALDH1A1KMT2APTK2BHCRTR1KDM4E | |
| SCHEMBL28803874 | 0.96 | ALDH1A1 (0.62) | ALDH1A1KMT2APTK2BHCRTR1KDM4E | |
| SCHEMBL29222496 | 0.93 | ALDH1A1 (0.59) | ALDH1A1KMT2APTK2BHCRTR1KDM4E |
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-105829396-A | PREPARATION OF SILOXANE-CONTAINING BLOCK COPOLYCARBONATES BY MEANS OF REACTIVE EXTRUSION | 科思创德国股份有限公司 | 2016-08-03 | — | — | CN | disclosed |
| CN-105637012-A | Polysiloxane-polycarbonate block cocondensates | COVESTRO DEUTSCHLAND AG | 2016-06-01 | — | — | CN | disclosed |