Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 9/20 | 0.42 |
| ▸ | ERBB3 | P21860 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 3/20 | 0.41 |
| ▸ | BCR | P11274 | 3/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.39 |
| ▸ | JAK3 | P52333 | 2/20 | 0.39 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.39 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.38 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL691980 | 0.77 | EGFR (0.48) | EGFRERBB3MEN1NPC1RAB9A | |
| SCHEMBL691983 | 0.77 | EGFR (0.48) | EGFRERBB3MEN1NPC1RAB9A | |
| SCHEMBL12262446 | 0.76 | SCN9A (0.64) | EGFRERBB3MEN1NPC1RAB9A | |
| SCHEMBL691982 | 0.75 | MTNR1A (0.51) | EGFRERBB3MEN1NPC1RAB9A | |
| SCHEMBL12262344 | 0.75 | EGFR (0.57) | EGFRERBB3MEN1NPC1RAB9A | |
| SCHEMBL12282836 | 0.75 | EGFR (0.53) | EGFRERBB3MEN1NPC1RAB9A | |
| SCHEMBL691611 | 0.75 | EGFR (0.64) | EGFRERBB3ERBB2JAK3ERBB4 | |
| SCHEMBL691610 | 0.75 | EGFR (0.64) | EGFRERBB3ERBB2JAK3ERBB4 | |
| SCHEMBL2203988 | 0.73 | EGFR (0.53) | EGFRERBB3MEN1NPC1RAB9A | |
| SCHEMBL2203981 | 0.73 | EGFR (0.53) | EGFRERBB3MEN1NPC1RAB9A |
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 |