Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 11/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 6/20 | 0.42 |
| ▸ | DRD2 | P14416 | 6/20 | 0.34 |
| ▸ | DRD4 | P21917 | 6/20 | 0.34 |
| ▸ | DRD3 | P35462 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3803479 | 0.81 | L3MBTL1 (0.47) | DRD3 | |
| SCHEMBL15258665 | 0.81 | MAPT (0.44) | — | |
| SCHEMBL3813595 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL17698403 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL3812202 | 0.76 | HSD11B1 (0.43) | DRD2DRD4DRD3 | |
| SCHEMBL26135641 | 0.76 | AKR1C1 (0.44) | DRD3 | |
| SCHEMBL15258670 | 0.74 | MAPT (0.46) | — | |
| SCHEMBL4849593 | 0.73 | PARP15 (0.41) | GSK3B | |
| SCHEMBL11289324 | 0.73 | AKR1C1 (0.48) | — | |
| SCHEMBL2720401 | 0.73 | CA1 (0.37) | — |
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-2012061342-A2 | SUBSTITUTED BENZO-IMIDAZO-PYRIDO-DIAZEPINE COMPOUNDS | ARQULE, INC. (US) | 2012-05-10 | — | — | WO | disclosed |