Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 3/20 | 0.58 |
| ▸ | GLA | P06280 | 2/20 | 0.50 |
| ▸ | RELA | Q04206 | 3/20 | 0.44 |
| ▸ | PTK6 | Q13882 | 2/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL676373 | 0.86 | ALK (0.76) | ALKGLAPTK6CYP1A2KDM4E | |
| SCHEMBL3669223 | 0.85 | ALK (0.56) | ALKGLAPTK6KDM4ENPC1 | |
| SCHEMBL3668987 | 0.84 | ALK (0.61) | ALKPTK6ERBB2 | |
| SCHEMBL676281 | 0.79 | RELA (0.48) | ALKGLARELAAHRCYP1A2 | |
| SCHEMBL3728347 | 0.79 | ALK (0.52) | ALKGLAPTK6AHRCYP1A2 | |
| SCHEMBL3728344 | 0.79 | ALK (0.52) | ALKGLAPTK6AHRCYP1A2 | |
| SCHEMBL676839 | 0.78 | ALK (0.51) | ALKGLAPTK6KDM4ENFE2L2 | |
| SCHEMBL676054 | 0.78 | AURKA (0.49) | ALKPTK6ERBB2 | |
| SCHEMBL675009 | 0.77 | ALK (0.50) | ALKGLAPTK6CYP1A2KDM4E | |
| SCHEMBL3666122 | 0.77 | RELA (0.45) | ALKGLARELAAHRCYP1A2 |
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 |