Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.71 |
| ▸ | EGFR | P00533 | 10/20 | 0.50 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | TNNI3K | Q59H18 | 5/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL374904 | 0.84 | TNNI3K (0.57) | NPC1EGFRERBB3KDM1ATNNI3K | |
| SCHEMBL374166 | 0.84 | EGFR (0.61) | NPC1EGFRERBB3KDM1ATNNI3K | |
| SCHEMBL2279629 | 0.80 | EGFR (0.59) | NPC1EGFRERBB3TNNI3KMKNK1 | |
| SCHEMBL3952295 | 0.80 | EGFR (0.66) | NPC1EGFRERBB3TNNI3KMKNK1 | |
| SCHEMBL691972 | 0.78 | NPC1 (0.48) | NPC1EGFRERBB3TNNI3KMKNK1 | |
| Hydrochloric Acid SCHEMBL2173883 | 0.78 | EGFR (0.64) | NPC1EGFRERBB3TNNI3KMKNK1 | |
| SCHEMBL374014 | 0.78 | EGFR (0.66) | NPC1EGFRERBB3MEN1KMT2A | |
| SCHEMBL857502 | 0.77 | NPC1 (0.63) | NPC1EGFRERBB3TNNI3KMKNK1 | |
| SCHEMBL691533 | 0.77 | EGFR (0.57) | NPC1EGFRERBB3TNNI3K | |
| SCHEMBL20093470 | 0.77 | NPC1 (0.51) | NPC1EGFRERBB3TNNI3KMKNK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7189729-B2 | Methods and compositions as protein kinase inhibitors | IRM LLC (BM) | 2007-03-13 | — | — | US | disclosed |
| US-7189729-B2 | Methods and compositions as protein kinase inhibitors | IRM LLC (BM) | 2007-03-13 | — | — | US | disclosed |