Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.52 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.52 |
| ▸ | THRA | P10827 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HRH2 | P25021 | 3/20 | 0.44 |
| ▸ | HRH1 | P35367 | 3/20 | 0.44 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL5227540 | 0.92 | KDM4E (0.56) | ITGB3ITGA2BTHRATHRBMAPK1 | |
| SCHEMBL4687657 | 0.90 | ALDH1A1 (0.55) | THRATHRBMAPK1SMN1; SMN2RAB9A | |
| SCHEMBL3376481 | 0.85 | HRH2 (0.48) | ITGB3ITGA2BRAB9AALDH1A1KDM4E | |
| SCHEMBL3376479 | 0.85 | HRH2 (0.48) | ITGB3ITGA2BRAB9AALDH1A1KDM4E | |
| SCHEMBL3376486 | 0.85 | HRH2 (0.48) | ITGB3ITGA2BRAB9AALDH1A1KDM4E | |
| SCHEMBL4686341 | 0.83 | SMN1; SMN2 (0.60) | MAPK1SMN1; SMN2RAB9AL3MBTL1NPC1 | |
| SCHEMBL5505866 | 0.82 | SMN1; SMN2 (0.56) | MAPK1SMN1; SMN2RAB9AL3MBTL1NPC1 | |
| SCHEMBL3645386 | 0.82 | SMN1; SMN2 (0.56) | MAPK1SMN1; SMN2RAB9AL3MBTL1NPC1 | |
| SCHEMBL4683920 | 0.81 | SMN1; SMN2 (0.58) | MAPK1SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL4685989 | 0.80 | ALDH1A1 (0.48) | MAPK1SMN1; SMN2RAB9AGAAALDH1A1 |
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-2008101840-A1 | COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-08-28 | — | — | WO | disclosed |