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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| Monoethanolamine SCHEMBL28091985 | 0.95 | ALDH1A1 (0.41) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL1894338 | 0.84 | ATM (0.50) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL11250885 | 0.82 | ATM (0.48) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL16803442 | 0.82 | ATM (0.48) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL1002719 | 0.82 | ATM (0.48) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL11259780 | 0.80 | ATM (0.46) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL1899746 | 0.80 | — | — | |
| SCHEMBL14417884 | 0.75 | KDM4E (0.54) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL26121874 | 0.72 | KDM4E (0.49) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL22370795 | 0.71 | ALDH1A1 (0.39) | ALDH1A1KDM4EMEN1MAPTKMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105906574-B | synthetic method of 2, 5-diphenylpyrazine | 合肥祥晨化工有限公司 | 2018-08-03 | — | — | CN | disclosed |