Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Benz(B)Anthracene. 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 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CASP6 | P55212 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | HBB | P68871 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Anthracene SCHEMBL3911533 | 0.97 | ALDH1A1 (0.56) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| Anthracene SCHEMBL29605772 | 0.97 | ALDH1A1 (0.56) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| Anthracene SCHEMBL29071655 | 0.97 | ALDH1A1 (0.56) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| Benz(B)Anthracene SCHEMBL31229359 | 0.88 | ALDH1A1 (0.50) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| Benzene SCHEMBL23327304 | 0.87 | ALDH1A1 (0.58) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| SCHEMBL12808891 | 0.87 | ALDH1A1 (0.58) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| Benzene SCHEMBL28273681 | 0.87 | ALDH1A1 (0.58) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| Benzene SCHEMBL28132671 | 0.87 | ALDH1A1 (0.58) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| Benz(B)Anthracene SCHEMBL23276801 | 0.87 | ALDH1A1 (0.58) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| Anthracene SCHEMBL18037719 | 0.87 | CYP2A6 (0.54) | ALDH1A1KDM4EHSD17B10MEN1KMT2A |
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-106226997-B | organic layer composition and method for forming pattern | 三星SDI株式会社 | 2019-12-17 | — | — | CN | disclosed |