Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CASP6 | P55212 | 2/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.39 |
| ▸ | P2RY4 | P51582 | 1/20 | 0.39 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29171094 | 0.90 | NPSR1 (0.44) | NPC1RAB9ANPSR1ADORA2AGAA | |
| SCHEMBL68635 | 0.84 | NPC1 (0.55) | NPC1RAB9AGAAMEN1KMT2A | |
| SCHEMBL29171097 | 0.83 | RAPGEF4 (0.40) | NPC1RAB9ANPSR1ADORA2AGAA | |
| SCHEMBL70002 | 0.81 | NPC1 (0.62) | NPC1RAB9AADORA2AMEN1KMT2A | |
| SCHEMBL1922073 | 0.77 | NPSR1 (0.72) | NPSR1ADORA2AMEN1KMT2AALDH1A1 | |
| SCHEMBL13105755 | 0.74 | RAB9A (0.63) | NPC1RAB9ANPSR1CASP6ALDH1A1 | |
| Toluene SCHEMBL28849380 | 0.73 | NPC1 (0.51) | NPC1RAB9AADORA2AGAAMEN1 | |
| SCHEMBL17246942 | 0.73 | NPSR1 (0.61) | NPSR1ADORA2AGAAMEN1KMT2A | |
| SCHEMBL28946045 | 0.73 | PNMT (0.45) | NPC1RAB9AADORA2AGAAMEN1 | |
| SCHEMBL28121467 | 0.73 | PDGFRB (0.44) | NPC1RAB9AGAAMEN1KMT2A |
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-4063367-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | LG Chem, Ltd. (KR) | 2022-09-28 | — | — | EP | disclosed |