Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 2/20 | 0.52 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | ADK | P55263 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CCR3 | P51677 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24782866 | 0.80 | NISCH (0.55) | VCPNISCHMTORADKALDH1A1 | |
| SCHEMBL16777437 | 0.78 | NISCH (0.72) | VCPNISCHMTORADKALDH1A1 | |
| SCHEMBL23214195 | 0.78 | VCP (0.67) | VCPNISCHMTORADKALDH1A1 | |
| SCHEMBL29957239 | 0.76 | NISCH (0.55) | VCPNISCHMTORADKALDH1A1 | |
| SCHEMBL4623510 | 0.76 | NISCH (0.55) | VCPNISCHMTORADKALDH1A1 | |
| SCHEMBL13996504 | 0.76 | NISCH (0.50) | VCPNISCHMTORADKALDH1A1 | |
| SCHEMBL13994010 | 0.76 | NISCH (0.50) | VCPNISCHMTORADKALDH1A1 | |
| SCHEMBL28214132 | 0.74 | ALDH1A1 (0.56) | ALDH1A1LIMK1MEN1KMT2A | |
| SCHEMBL7967769 | 0.74 | VCP (0.56) | VCPNISCHMTORADKALDH1A1 | |
| SCHEMBL12607523 | 0.73 | NISCH (0.50) | VCPNISCHMTORADKALDH1A1 |
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-2001087845-A2 | N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-11-22 | — | — | WO | disclosed |