Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 8/20 | 0.58 |
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | PPIA | P62937 | 1/20 | 0.49 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.49 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.43 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1750737 | 0.86 | NR4A2 (0.58) | ALDH1A1NPC1CYP2D6CYP2C19 | |
| SCHEMBL10055039 | 0.83 | NPC1 (0.68) | ALDH1A1NPC1CYP2D6CYP2C19PKM | |
| SCHEMBL4320922 | 0.82 | PKM (0.67) | ALDH1A1NPC1CYP2D6CYP2C19PKM | |
| SCHEMBL18355565 | 0.82 | ALDH1A1 (0.52) | ALDH1A1NPC1CYP2D6CYP2C19PKM | |
| SCHEMBL30518397 | 0.78 | NPC1 (0.58) | ALDH1A1NPC1CYP2D6CYP2C19PKM | |
| SCHEMBL510167 | 0.78 | NPC1 (0.58) | ALDH1A1NPC1CYP2D6CYP2C19PKM | |
| SCHEMBL3387450 | 0.78 | NPC1 (0.58) | MAOBALDH1A1NPC1CYP2D6CYP2C19 | |
| SCHEMBL1680866 | 0.78 | NPC1 (0.58) | MAOBALDH1A1NPC1CYP2D6CYP2C19 | |
| SCHEMBL23488259 | 0.78 | PARP10 (0.62) | PARP10PARP1 | |
| SCHEMBL28497310 | 0.77 | NPC1 (0.45) | ALDH1A1NPC1CYP2D6CYP2C19PKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1782811-A1 | NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2007-05-09 | — | — | EP | disclosed |