Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL3237136 | 0.84 | TYR (0.39) | HDAC1HDAC6GFER | |
| SCHEMBL3239397 | 0.82 | ALDH1A1 (0.40) | CASP3CDK9CASP7HDAC1HDAC6 | |
| SCHEMBL3238452 | 0.82 | BRD9 (0.36) | HDAC1HDAC6GFER | |
| SCHEMBL3232124 | 0.81 | HDAC1 (0.39) | MAPK1HDAC1HDAC6GFER | |
| SCHEMBL3347259 | 0.80 | PTGDR2 (0.46) | — | |
| SCHEMBL3243476 | 0.79 | ALDH1A1 (0.36) | MAPK1GFER | |
| SCHEMBL3236371 | 0.79 | PTGDR2 (0.44) | GFER | |
| SCHEMBL3243756 | 0.78 | BRD4 (0.36) | GFER | |
| SCHEMBL2311708 | 0.75 | HSP90AA1 (0.35) | — | |
| SCHEMBL3240963 | 0.74 | LDHA (0.34) | GFER |
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-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | disclosed |