Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.56 |
| ▸ | RAB9A | P51151 | 9/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | IDH1 | O75874 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2295166 | 0.81 | FGFR1 (0.46) | NPC1RAB9ASMN1; SMN2MAPTHPGD | |
| SCHEMBL2296252 | 0.70 | NR1I2 (0.47) | NPC1RAB9ASMN1; SMN2MAPTAURKA | |
| SCHEMBL2296670 | 0.70 | NR1I2 (0.47) | NPC1RAB9ASMN1; SMN2MAPTAURKA | |
| SCHEMBL5301051 | 0.68 | AURKA (0.47) | NPC1RAB9ASMN1; SMN2MAPTAURKA | |
| SCHEMBL2298641 | 0.67 | NR1I2 (0.44) | NPC1RAB9ASMN1; SMN2MAPTNR1I2 | |
| SCHEMBL2298649 | 0.67 | RAB9A (0.47) | NPC1RAB9ASMN1; SMN2MAPTNR1I2 | |
| SCHEMBL2542625 | 0.67 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2MAPTHPGD | |
| SCHEMBL2298534 | 0.67 | EGLN3 (0.45) | NPC1RAB9ASMN1; SMN2MAPTHPGD | |
| SCHEMBL4372973 | 0.67 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2MAPTAURKA | |
| SCHEMBL12421967 | 0.67 | NR1I2 (0.45) | NPC1RAB9ASMN1; SMN2MAPTAURKA |
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 |