Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27744734 | 0.93 | SLC22A1 (0.39) | SLC22A1MEN1KMT2ATP53MAPK1 | |
| Hydrochloric Acid SCHEMBL240453 | 0.89 | SLC22A1 (0.47) | SLC22A1DNM1HTT | |
| SCHEMBL144694 | 0.86 | SLC22A1 (0.50) | SLC22A1KMT2ADNM1HTT | |
| Biphenyl SCHEMBL28460813 | 0.84 | ALDH1A1 (0.43) | SLC22A1MEN1KMT2ATP53MAPK1 | |
| Iodide SCHEMBL237492 | 0.82 | SLC22A1 (0.47) | SLC22A1KMT2ADNM1HTT | |
| Bromide SCHEMBL238492 | 0.82 | SLC22A1 (0.47) | SLC22A1MEN1KMT2ATP53SMN1; SMN2 | |
| Water SCHEMBL150200 | 0.82 | SLC22A1 (0.47) | SLC22A1KMT2ADNM1HTT | |
| Fluoride Ion SCHEMBL4615667 | 0.82 | SLC22A1 (0.47) | SLC22A1KMT2ADNM1HTT | |
| Tributylmethylammonium SCHEMBL27801988 | 0.81 | SLC22A1 (0.45) | SLC22A1MEN1KMT2ATP53MAPK1 | |
| Biphenyl SCHEMBL28955867 | 0.81 | ALDH1A1 (0.45) | SLC22A1MEN1KMT2ATP53MAPK1 |
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-101463221-A | Dual cure formulations with components comprising uretdione groups | EVONIK DEGUSSA GMBH (DE) | 2009-06-24 | — | — | CN | claimed |
| CN-101463221-A | Dual cure formulations with components comprising uretdione groups | EVONIK DEGUSSA GMBH (DE) | 2009-06-24 | — | — | CN | disclosed |