Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL16425053 | 0.88 | CYP17A1 (0.39) | CYP17A1CYP1A2KDM4EATML3MBTL1 | |
| SCHEMBL16425036 | 0.82 | NR3C1 (0.36) | CYP17A1CYP1A2KDM4EATML3MBTL1 | |
| SCHEMBL16425013 | 0.81 | CYP17A1 (0.41) | CYP17A1CYP1A2KDM4EATML3MBTL1 | |
| SCHEMBL16425024 | 0.81 | CYP17A1 (0.36) | CYP17A1CYP1A2KDM4EATML3MBTL1 | |
| SCHEMBL21755569 | 0.80 | KDM4E (0.51) | KDM4EATML3MBTL1ALDH1A1MAPT | |
| SCHEMBL16425027 | 0.80 | KDM4E (0.45) | CYP17A1CYP1A2KDM4EATML3MBTL1 | |
| SCHEMBL19031819 | 0.79 | GRM1 (0.47) | CYP17A1CYP1A2KDM4EATML3MBTL1 | |
| SCHEMBL16424918 | 0.78 | CYP17A1 (0.39) | CYP17A1CYP1A2KDM4EATML3MBTL1 | |
| SCHEMBL15811238 | 0.78 | KDM4E (0.42) | CYP17A1CYP1A2KDM4EATML3MBTL1 | |
| SCHEMBL16675311 | 0.78 | KDM4E (0.55) | KDM4EATML3MBTL1ALDH1A1MAPT |
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-2015012528-A2 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 (KR) | 2015-01-29 | — | — | WO | disclosed |