Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 3/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | MARK3 | P27448 | 1/20 | 0.31 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24747326 | 0.93 | NPC1 (0.43) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27251094 | 0.92 | NPC1 (0.34) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL18934108 | 0.88 | P2RX7 (0.35) | NPC1NISCH | |
| SCHEMBL18436036 | 0.88 | P2RX7 (0.35) | NPC1NISCH | |
| SCHEMBL21159977 | 0.84 | NPC1 (0.46) | NPC1RAB9AGABRA1GABRG2GABRB3 | |
| SCHEMBL21160342 | 0.82 | NPC1 (0.38) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL24747170 | 0.82 | P2RX7 (0.35) | — | |
| SCHEMBL24747180 | 0.82 | P2RX7 (0.35) | NISCH | |
| SCHEMBL23624424 | 0.82 | NPC1 (0.41) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL18561038 | 0.82 | P2RX7 (0.40) | NPC1RAB9ANISCH |
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-2022211594-A1 | COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2022-10-06 | — | — | WO | disclosed |