Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 9/20 | 0.35 |
| ▸ | DRD2 | P14416 | 8/20 | 0.35 |
| ▸ | DRD4 | P21917 | 6/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.31 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22650566 | 0.90 | DPP4 (0.33) | AKR1C3PIK3CAMTOR | |
| SCHEMBL22650368 | 0.85 | ALOX5AP (0.37) | AKR1C3PIK3CAMTOR | |
| SCHEMBL29462389 | 0.85 | ALOX5AP (0.37) | AKR1C3PIK3CAMTOR | |
| SCHEMBL22650562 | 0.84 | PIK3CA (0.35) | DRD3DRD2DRD4AKR1C3PIK3CA | |
| SCHEMBL29491165 | 0.76 | SPR (0.38) | ROCK2PIK3CA | |
| SCHEMBL22650412 | 0.76 | SPR (0.38) | ROCK2PIK3CA | |
| SCHEMBL22650571 | 0.76 | CCR5 (0.39) | ROCK2 | |
| SCHEMBL22650730 | 0.73 | ALOX5AP (0.40) | AKR1C3PIK3CAMTOR | |
| SCHEMBL25949319 | 0.73 | DRD3 (0.43) | DRD3DRD2DRD4 | |
| SCHEMBL13768888 | 0.71 | CDK4 (0.46) | PIK3CAMTORCHIT1CHIA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021226140-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2021-11-11 | — | — | WO | disclosed |
| WO-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |