Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6632710 | 0.77 | NPC1 (0.34) | NPC1RAB9AGAAL3MBTL1MAPT | |
| SCHEMBL6229623 | 0.76 | PGR (0.38) | GAAMAPT | |
| SCHEMBL12980171 | 0.70 | NPC1 (0.40) | NPC1RAB9AGAAL3MBTL1 | |
| SCHEMBL3687294 | 0.68 | NPC1 (0.41) | NPC1RAB9AGAAL3MBTL1 | |
| SCHEMBL6969986 | 0.68 | KMT2A (0.41) | NPC1RAB9AL3MBTL1MAPT | |
| SCHEMBL7337165 | 0.68 | KMT2A (0.41) | NPC1RAB9AL3MBTL1MAPT | |
| SCHEMBL26672760 | 0.68 | KMT2A (0.38) | RAB9A | |
| SCHEMBL7347511 | 0.65 | KIF11 (0.42) | — | |
| SCHEMBL3253299 | 0.65 | KIF11 (0.42) | — | |
| SCHEMBL8593143 | 0.65 | NPSR1 (0.43) | NPC1RAB9AL3MBTL1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1220842-A1 | CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2002-07-10 | — | — | EP | disclosed |
| WO-2001025200-A1 | CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-12 | — | — | WO | disclosed |