Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.51 |
| ▸ | GSK3B | P49841 | 7/20 | 0.48 |
| ▸ | GSK3A | P49840 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20138817 | 1.00 | KCNH2 (0.51) | KCNH2GSK3BGSK3AMAPTSLC2A1 | |
| SCHEMBL20138974 | 0.86 | KCNH2 (0.50) | KCNH2GSK3BGSK3AMAPTSLC2A1 | |
| SCHEMBL20138975 | 0.86 | KCNH2 (0.50) | KCNH2GSK3BGSK3AMAPTSLC2A1 | |
| SCHEMBL20138800 | 0.81 | GSK3B (0.51) | GSK3BGSK3AMAPT | |
| SCHEMBL20138801 | 0.81 | GSK3B (0.51) | GSK3BGSK3AMAPT | |
| SCHEMBL20138815 | 0.78 | GSK3A (0.51) | GSK3BGSK3A | |
| SCHEMBL20138814 | 0.78 | GSK3A (0.51) | GSK3BGSK3A | |
| SCHEMBL20142928 | 0.74 | GSK3B (0.58) | GSK3BGSK3AMAPT | |
| SCHEMBL20142929 | 0.74 | GSK3B (0.58) | GSK3BGSK3AMAPT | |
| SCHEMBL5636821 | 0.73 | KCNH2 (0.57) | KCNH2SLC2A1 |
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-2018087126-A1 | AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES AS INHIBITORS OF TANKYRASE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-17 | — | — | WO | claimed |
| WO-2018087126-A1 | AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES AS INHIBITORS OF TANKYRASE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-17 | — | — | WO | disclosed |