Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | ADK | P55263 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | JAK3 | P52333 | 3/20 | 0.41 |
| ▸ | MELK | Q14680 | 1/20 | 0.41 |
| ▸ | CCR3 | P51677 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| SCHEMBL23214195 | 0.81 | VCP (0.67) | VCPKDM4EKMT2ANISCHMTOR | |
| SCHEMBL24782866 | 0.77 | NISCH (0.55) | VCPKDM4EKMT2ANISCHMTOR | |
| SCHEMBL16777437 | 0.76 | NISCH (0.72) | VCPKDM4EKMT2ANISCHMTOR | |
| SCHEMBL20557852 | 0.75 | CNR1 (0.66) | VCP | |
| SCHEMBL30469234 | 0.75 | CNR1 (0.66) | VCP | |
| SCHEMBL4532779 | 0.74 | KDM4E (0.53) | KDM4ERXFP1KMT2ACYP1A2ALDH1A1 | |
| SCHEMBL23240001 | 0.74 | VCP (0.61) | VCPKDM4EKMT2ANISCHMTOR | |
| SCHEMBL13996504 | 0.74 | NISCH (0.50) | VCPKDM4ENISCHMTORADK | |
| SCHEMBL13994010 | 0.74 | NISCH (0.50) | VCPKDM4EKMT2ANISCHMTOR | |
| SCHEMBL7984072 | 0.74 | VCP (0.52) | VCPKDM4EKMT2ANISCHMTOR |
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 |