Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ASAH1 | Q13510 | 6/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2292979 | 1.00 | NPC1 (0.49) | NPC1RAB9AALDH1A1MAPTHPGD | |
| SCHEMBL2292988 | 1.00 | NPC1 (0.49) | NPC1RAB9AALDH1A1MAPTHPGD | |
| SCHEMBL2292398 | 0.77 | NPC1 (0.50) | NPC1RAB9AALDH1A1MAPTHPGD | |
| SCHEMBL2292401 | 0.77 | NPC1 (0.50) | NPC1RAB9AALDH1A1MAPTHPGD | |
| SCHEMBL2292393 | 0.77 | NPC1 (0.50) | NPC1RAB9AALDH1A1MAPTHPGD | |
| SCHEMBL2297319 | 0.74 | FGFR1 (0.50) | NPC1RAB9AALDH1A1MAPTHPGD | |
| SCHEMBL2295013 | 0.74 | ALDH1A1 (0.50) | ALDH1A1MAPTHPGDKMT2AMEN1 | |
| SCHEMBL12421955 | 0.73 | NPC1 (0.48) | NPC1RAB9AALDH1A1MAPTHPGD | |
| SCHEMBL30723136 | 0.73 | SMN1; SMN2 (0.58) | NPC1RAB9AALDH1A1MAPTHPGD | |
| SCHEMBL11012986 | 0.72 | NPC1 (0.57) | NPC1RAB9AALDH1A1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-8003806-B2 | Integrin antagonists useful as anticancer agents | OSI Pharmaceuticals, LLC (US) | 2011-08-23 | — | — | US | disclosed |