Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.51 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 7/20 | 0.48 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.48 |
| ▸ | JAK3 | P52333 | 10/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.47 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | JAK1 | P23458 | 8/20 | 0.44 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.44 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.44 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | BTK | Q06187 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12262344 | 0.88 | EGFR (0.57) | EGFRERBB3JAK3ERBB2MEN1 | |
| SCHEMBL691610 | 0.87 | EGFR (0.64) | EGFRERBB3JAK3ERBB2ERBB4 | |
| SCHEMBL691611 | 0.87 | EGFR (0.64) | EGFRERBB3JAK3ERBB2ERBB4 | |
| SCHEMBL12282836 | 0.83 | EGFR (0.53) | MTNR1AMTNR1BEGFRERBB3ERBB2 | |
| SCHEMBL12282888 | 0.80 | EGFR (0.54) | EGFRJAK3ERBB2BTK | |
| SCHEMBL12262542 | 0.80 | MEN1 (0.57) | EGFRERBB3MEN1NPC1RAB9A | |
| SCHEMBL691983 | 0.80 | EGFR (0.48) | EGFRERBB3ERBB2MEN1NPC1 | |
| SCHEMBL691980 | 0.80 | EGFR (0.48) | EGFRERBB3ERBB2MEN1NPC1 | |
| SCHEMBL2202930 | 0.79 | EGFR (0.55) | MTNR1AMTNR1BEGFRERBB3MEN1 | |
| SCHEMBL2202934 | 0.79 | EGFR (0.55) | MTNR1AMTNR1BEGFRERBB3MEN1 |
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-2421538-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | Avila Therapeutics, Inc. (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010123870-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2010-10-28 | — | — | WO | disclosed |