Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 4/20 | 0.42 |
| ▸ | PTK6 | Q13882 | 3/20 | 0.42 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.39 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | IGF1R | P08069 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | PLK4 | O00444 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3668044 | 0.84 | ERBB2 (0.41) | ERBB2PTK6ALKUTS2RAURKB | |
| SCHEMBL675927 | 0.82 | MAP2 (0.36) | ERBB2PTK6RAB9A | |
| SCHEMBL3665280 | 0.80 | KIF11 (0.34) | NPC1RAB9ATLR8TLR7HDAC3 | |
| SCHEMBL3668527 | 0.80 | ERBB2 (0.42) | ERBB2PTK6ALKUTS2RAURKB | |
| SCHEMBL3668534 | 0.80 | ERBB2 (0.42) | ERBB2PTK6ALKUTS2RAURKB | |
| Diethylamine SCHEMBL3668048 | 0.78 | ERBB2 (0.45) | ERBB2PTK6ALKUTS2RAURKB | |
| SCHEMBL675345 | 0.78 | CA1 (0.47) | ERBB2PTK6ALKAURKBAURKA | |
| SCHEMBL3668532 | 0.78 | TLR9 (0.42) | ERBB2PTK6ALKUTS2RAURKB | |
| SCHEMBL675753 | 0.77 | ERBB2 (0.41) | ERBB2PTK6ALKUTS2RAURKB | |
| SCHEMBL676353 | 0.76 | RAB9A (0.50) | ERBB2PTK6AURKBAURKANPC1 |
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-8895744-B2 | Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl | UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) | 2014-11-25 | — | — | US | disclosed |
| EP-2161271-A1 | Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl | Università Degli Studi Di Milano - Bicocca (IT) | 2010-03-10 | — | — | EP | disclosed |