Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 2/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27345472 | 0.96 | NPC1 (0.41) | NPC1RAB9AALDH1A3PGRPAX8 | |
| SCHEMBL27381887 | 0.86 | P2RX7 (0.38) | NPC1ADORA2AADORA1MEN1ALDH1A1 | |
| SCHEMBL27382317 | 0.84 | HSD17B1 (0.35) | NPC1ADORA2AADORA1MEN1ALDH1A1 | |
| SCHEMBL21159672 | 0.83 | ADORA2A (0.35) | NPC1RAB9AALDH1A3PAX8ADORA2A | |
| SCHEMBL18818882 | 0.82 | ALDH1A3 (0.37) | NPC1RAB9AALDH1A3PGRPAX8 | |
| SCHEMBL19622700 | 0.82 | NPC1 (0.39) | NPC1RAB9AALDH1A3PAX8GABRA1 | |
| SCHEMBL18819308 | 0.82 | CYP19A1 (0.37) | NPC1RAB9AALDH1A3GABRA1GABRG2 | |
| SCHEMBL24747326 | 0.82 | NPC1 (0.43) | NPC1RAB9AALDH1A3PAX8GABRA1 | |
| SCHEMBL19007621 | 0.81 | P2RX7 (0.43) | NPC1RAB9AMEN1ALDH1A1CYP1A2 | |
| SCHEMBL22056442 | 0.81 | MEN1 (0.38) | NPC1RAB9AALDH1A3PGRPAX8 |
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-2024128698-A1 | COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2024-06-20 | — | — | WO | disclosed |