Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 9/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 9/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | PRKDC | P78527 | 3/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25557617 | 1.00 | CYP1A1 (0.43) | CYP1A1CYP1B1CYP1A2HPGDKDM4E | |
| SCHEMBL25132059 | 1.00 | CYP1A1 (0.43) | CYP1A1CYP1B1CYP1A2HPGDKDM4E | |
| SCHEMBL19916931 | 0.99 | CYP1A1 (0.44) | CYP1A1CYP1B1CYP1A2HPGDKDM4E | |
| SCHEMBL25460315 | 0.99 | CYP1A1 (0.44) | CYP1A1CYP1B1CYP1A2HPGDKDM4E | |
| SCHEMBL19916927 | 0.99 | CYP1A1 (0.44) | CYP1A1CYP1B1CYP1A2HPGDKDM4E | |
| SCHEMBL24184969 | 0.96 | PLA2G2A (0.42) | CYP1A1CYP1B1CYP1A2HPGDKDM4E | |
| SCHEMBL24222244 | 0.96 | CYP1A1 (0.46) | CYP1A1CYP1B1CYP1A2HPGDKDM4E | |
| SCHEMBL24239134 | 0.95 | CYP1A1 (0.45) | CYP1A1CYP1B1CYP1A2HPGDKDM4E | |
| SCHEMBL22308592 | 0.94 | MAPT (0.42) | CYP1A1CYP1B1CYP1A2HPGDKDM4E | |
| SCHEMBL22310023 | 0.93 | MAPT (0.44) | CYP1A1CYP1B1CYP1A2HPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018038464-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2018-03-01 | — | — | WO | disclosed |