Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 7/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 6/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.37 |
| ▸ | HTR1A | P08908 | 4/20 | 0.37 |
| ▸ | DRD2 | P14416 | 4/20 | 0.37 |
| ▸ | DRD4 | P21917 | 4/20 | 0.37 |
| ▸ | WNT1 | P04628 | 4/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 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 | |
|---|---|---|---|---|
| SCHEMBL20054412 | 0.86 | GSK3B (0.49) | GSK3BDYRK1AHDAC3HDAC1KCNH2 | |
| SCHEMBL20054480 | 0.80 | GSK3B (0.61) | GSK3BDYRK1AWNT1 | |
| SCHEMBL15116769 | 0.79 | GSK3B (0.41) | GSK3BDYRK1AHDAC3HDAC1WNT1 | |
| SCHEMBL19388451 | 0.79 | GSK3B (0.41) | GSK3BDYRK1AHDAC3HDAC1WNT1 | |
| SCHEMBL20054419 | 0.79 | GSK3B (0.60) | GSK3BDYRK1AHDAC3HDAC1WNT1 | |
| SCHEMBL20054445 | 0.74 | GSK3B (0.48) | GSK3BDYRK1AHDAC3HDAC1WNT1 | |
| SCHEMBL20054567 | 0.74 | GSK3B (0.48) | GSK3BDYRK1AHDAC3HDAC1WNT1 | |
| SCHEMBL20054436 | 0.74 | GSK3B (0.51) | GSK3BDYRK1AHDAC3HDAC1WNT1 | |
| SCHEMBL20054389 | 0.73 | GSK3B (0.46) | GSK3BDYRK1AHDAC3HDAC1KCNH2 | |
| SCHEMBL20054523 | 0.73 | GSK3B (0.53) | GSK3BDYRK1AHDAC3HDAC1WNT1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3019196-B1 | COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-06-06 | — | — | EP | disclosed |
| EP-2802326-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-04-18 | — | — | EP | disclosed |