Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 12/20 | 0.48 |
| ▸ | EGFR | P00533 | 11/20 | 0.48 |
| ▸ | VCP | P55072 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | ADK | P55263 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | GOT1 | P17174 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7981286 | 0.79 | MTOR (0.48) | KDREGFRVCPMTORADK | |
| SCHEMBL7980998 | 0.75 | VCP (0.47) | KDREGFRVCPMTORADK | |
| SCHEMBL4724567 | 0.74 | NISCH (0.44) | KDREGFRMTORADKNISCH | |
| SCHEMBL31426459 | 0.73 | EGFR (0.76) | KDREGFRKDM4ETP53CYP3A4 | |
| SCHEMBL479267 | 0.73 | EGFR (0.76) | KDREGFRKDM4ETP53CYP3A4 | |
| SCHEMBL4820797 | 0.73 | SMN1; SMN2 (0.59) | KDREGFRKDM4ETP53CYP3A4 | |
| SCHEMBL4783313 | 0.73 | EGFR (0.58) | KDREGFRKDM4ETP53CYP3A4 | |
| SCHEMBL13304805 | 0.72 | EGFR (0.57) | KDREGFRKDM4ETP53CYP3A4 | |
| SCHEMBL13286756 | 0.70 | NPC1 (0.71) | KDREGFRKDM4ETP53CYP3A4 | |
| SCHEMBL7979370 | 0.70 | KDR (0.63) | KDRVCPMTORADKNISCH |
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 |