Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12241635 | 0.92 | CNR1 (0.47) | CNR1ALDH1A1HTTCNR2MEN1 | |
| SCHEMBL14409781 | 0.91 | CNR1 (0.47) | CNR1ALDH1A1HTTCNR2NPC1 | |
| SCHEMBL13681462 | 0.91 | CNR1 (0.47) | CNR1ALDH1A1HTTCNR2NPC1 | |
| SCHEMBL16191209 | 0.90 | ALDH1A1 (0.49) | CNR1ALDH1A1HTTCNR2MEN1 | |
| SCHEMBL19262445 | 0.88 | MEN1 (0.46) | CNR1ALDH1A1HTTCNR2NPC1 | |
| SCHEMBL2301471 | 0.87 | CNR1 (0.47) | CNR1ALDH1A1HTTCNR2KDM1A | |
| SCHEMBL717183 | 0.87 | GBA1 (0.55) | CNR1ALDH1A1HTTKDM1A | |
| SCHEMBL18503352 | 0.86 | CNR1 (0.44) | CNR1ALDH1A1HTTCNR2NPC1 | |
| SCHEMBL18503342 | 0.86 | CNR1 (0.44) | CNR1ALDH1A1HTTCNR2NPC1 | |
| SCHEMBL13504019 | 0.86 | CNR1 (0.44) | CNR1ALDH1A1HTTCNR2NPC1 |
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 |