Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 8/20 | 0.47 |
| ▸ | UTS2R | Q9UKP6 | 7/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL3727398 | 1.00 | ALK (0.47) | ALKUTS2RMAPKAPK2KDM4ECYP3A4 | |
| SCHEMBL3725131 | 0.89 | ALK (0.47) | ALKUTS2R | |
| SCHEMBL3728347 | 0.88 | ALK (0.52) | ALKUTS2RKDM4ECYP3A4CYP1A2 | |
| SCHEMBL3728344 | 0.88 | ALK (0.52) | ALKUTS2RKDM4ECYP3A4CYP1A2 | |
| SCHEMBL676275 | 0.88 | ALK (0.46) | ALKUTS2RKDM4EMEN1NPC1 | |
| SCHEMBL3733722 | 0.83 | ALK (0.48) | ALKUTS2R | |
| SCHEMBL676640 | 0.82 | ALK (0.56) | ALKUTS2RMAPKAPK2IP6K1 | |
| SCHEMBL676639 | 0.82 | ALK (0.56) | ALKUTS2RMAPKAPK2IP6K1 | |
| SCHEMBL676274 | 0.79 | ALK (0.44) | ALKUTS2RMAPKAPK2KDM4ECYP3A4 | |
| SCHEMBL675099 | 0.78 | TLR8 (0.45) | MAPKAPK2KDM4ECYP3A4CYP1A2TSHR |
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 |