Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 4/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28055260 | 1.00 | DRD2 (0.40) | DRD2DRD3DRD4CYP2D6CYP2C19 | |
| SCHEMBL20037668 | 0.86 | LMNA (0.40) | DRD2DRD3DRD4CYP2D6CYP2C19 | |
| SCHEMBL20203570 | 0.84 | CDK1 (0.39) | DRD2DRD3DRD4ALDH1A1MTOR | |
| SCHEMBL20203575 | 0.84 | CDK1 (0.39) | DRD2DRD3DRD4ALDH1A1MTOR | |
| SCHEMBL18291438 | 0.81 | MAPK1 (0.43) | DRD2DRD3DRD4CYP2D6CYP2C19 | |
| SCHEMBL1126048 | 0.80 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2AATM | |
| SCHEMBL18202680 | 0.79 | DRD2 (0.41) | DRD2DRD3DRD4ALDH1A1HRH3 | |
| SCHEMBL20255404 | 0.79 | CYP2D6 (0.37) | DRD2DRD3DRD4CYP2D6CYP2C19 | |
| SCHEMBL20255403 | 0.79 | CYP2D6 (0.37) | DRD2DRD3DRD4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL1126084 | 0.79 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2AATM |
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-105294655-A | CDK small-molecule inhibitor compounds and application therefore | GUANGDONG HEC PHARMACEUTICAL | 2016-02-03 | — | — | CN | disclosed |