Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 4/20 | 0.35 |
| ▸ | MTOR | P42345 | 4/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | CPB1 | P15086 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 4/20 | 0.33 |
| ▸ | DRD3 | P35462 | 4/20 | 0.33 |
| ▸ | CDK4 | P11802 | 4/20 | 0.33 |
| ▸ | CCND1 | P24385 | 3/20 | 0.33 |
| ▸ | CDK2 | P24941 | 3/20 | 0.33 |
| ▸ | CBX7 | O95931 | 1/20 | 0.33 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.33 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 3/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL29462389 | 0.86 | ALOX5AP (0.37) | PIK3CAMTORAKR1C3CHRNB2CHRNA4 | |
| SCHEMBL22650368 | 0.86 | ALOX5AP (0.37) | PIK3CAMTORAKR1C3CHRNB2CHRNA4 | |
| SCHEMBL22650910 | 0.84 | DRD3 (0.35) | PIK3CAMTORAKR1C3DRD2DRD3 | |
| SCHEMBL22650566 | 0.81 | DPP4 (0.33) | PIK3CAMTORAKR1C3CPB1CHRNB2 | |
| SCHEMBL22650571 | 0.81 | CCR5 (0.39) | — | |
| SCHEMBL13769033 | 0.80 | CDK4 (0.43) | PIK3CAMTORCDK4CCND1CDK2 | |
| SCHEMBL29491165 | 0.76 | SPR (0.38) | PIK3CA | |
| SCHEMBL22650412 | 0.76 | SPR (0.38) | PIK3CA | |
| SCHEMBL22650730 | 0.76 | ALOX5AP (0.40) | PIK3CAMTORAKR1C3CPB1CHRNB2 | |
| SCHEMBL22650819 | 0.73 | HRH3 (0.39) | AKR1C3CHRNB2CHRNA4 |
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-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |