Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 2/20 | 0.37 |
| ▸ | TRPC6 | Q9Y210 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | GCK | P35557 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28055263 | 1.00 | DRD2 (0.42) | DRD2DRD3DRD4ESR1ESR2 | |
| SCHEMBL611882 | 0.77 | GAA (0.62) | TRPC6KDM4EGAAMAPTRAD52 | |
| SCHEMBL13349179 | 0.77 | ESR1 (0.46) | ESR1ESR2CHEK1KDM4EGAA | |
| SCHEMBL30664067 | 0.77 | GAA (0.62) | TRPC6KDM4EGAAMAPTRAD52 | |
| SCHEMBL28055262 | 0.77 | DRD2 (0.40) | DRD2DRD3DRD4MTORKCNH2 | |
| SCHEMBL28055260 | 0.77 | DRD2 (0.40) | DRD2DRD3DRD4MTORKCNH2 | |
| SCHEMBL15857990 | 0.76 | ESR1 (0.45) | DRD2DRD4ESR1ESR2KDM4E | |
| SCHEMBL18948533 | 0.76 | KMT2A (0.49) | DRD2DRD4ESR1ESR2KDM4E | |
| SCHEMBL28282066 | 0.75 | CHRNB2 (0.50) | CHRNB2CHRNA4ADORA2AADORA1KCNH2 | |
| SCHEMBL28282064 | 0.75 | CHRNB2 (0.50) | CHRNB2CHRNA4ADORA2AADORA1KCNH2 |
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 |