Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 4/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.35 |
| ▸ | ADK | P55263 | 1/20 | 0.35 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | F2R | P25116 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | VCP | P55072 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 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 | |
|---|---|---|---|---|
| SCHEMBL6827712 | 0.84 | SMPD3 (0.39) | MTORBRD4NISCHADKSMPD3 | |
| SCHEMBL6829388 | 0.76 | CYP1B1 (0.34) | CYP1B1 | |
| SCHEMBL6824341 | 0.73 | ALDH1A1 (0.45) | KDM4EALDH1A1PDE3ACYP1B1HRH3 | |
| SCHEMBL18696087 | 0.71 | CYP1B1 (0.46) | KDM4EALDH1A1CYP1B1 | |
| SCHEMBL3348459 | 0.69 | NISCH (0.51) | MTORNISCHADKKDM4EALDH1A1 | |
| SCHEMBL6827239 | 0.69 | CYP1B1 (0.43) | KDM4EALDH1A1CYP1B1 | |
| SCHEMBL6827665 | 0.68 | CYP1B1 (0.41) | CYP1B1 | |
| SCHEMBL6824269 | 0.66 | CYP1B1 (0.40) | KDM4EALDH1A1CYP1B1 | |
| SCHEMBL6829397 | 0.66 | CYP1B1 (0.40) | KDM4EALDH1A1CYP1B1 | |
| SCHEMBL6827603 | 0.66 | TDP1 (0.49) | ALDH1A1CYP1B1CDK4CCND1 |
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-2004050624-A1 | SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES | C & C RESEARCH LABORATORIES (KR) | 2004-06-17 | — | — | WO | disclosed |