Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ADH5 | P11766 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4284158 | 0.88 | ABCB1 (0.37) | ABCB1ADH5 | |
| SCHEMBL3632665 | 0.83 | ABCB1 (0.50) | ABCB1MEN1KMT2AL3MBTL1 | |
| SCHEMBL1551329 | 0.82 | AKR1C3 (0.37) | ABCB1MEN1KMT2A | |
| SCHEMBL4316385 | 0.81 | MEN1 (0.43) | ABCB1MEN1KMT2A | |
| SCHEMBL3633358 | 0.80 | NOTUM (0.44) | ABCB1MEN1KMT2AL3MBTL1 | |
| SCHEMBL1550977 | 0.76 | DPP4 (0.32) | ADH5 | |
| SCHEMBL1550103 | 0.76 | SMN1; SMN2 (0.39) | MEN1KMT2A | |
| SCHEMBL3634622 | 0.75 | NOTUM (0.45) | MEN1KMT2A | |
| SCHEMBL1550184 | 0.73 | ALDH1A1 (0.38) | MEN1KMT2A | |
| SCHEMBL3236146 | 0.72 | BRD4 (0.31) | MEN1KMT2AL3MBTL1 |
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-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | WO | disclosed |