Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.39 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL3206828 | 0.81 | CYP2D6 (0.54) | CYP2D6CYP1A2LRRK2HTR2AHTR2C | |
| SCHEMBL2038637 | 0.81 | CYP2D6 (0.54) | CYP2D6CYP1A2LRRK2HTR2AHTR2C | |
| SCHEMBL16199515 | 0.73 | LRRK2 (0.57) | CYP2D6CYP1A2LRRK2HTR2AHTR2C | |
| Iodomethane SCHEMBL9399868 | 0.72 | GPR84 (0.63) | CYP2D6CYP1A2LRRK2HTR2AKDM4E | |
| SCHEMBL13860957 | 0.72 | LRRK2 (0.65) | LRRK2ROCK2ROCK1CDC42BPACDC42BPB | |
| SCHEMBL46562 | 0.71 | GPR84 (0.67) | CYP2D6CYP1A2LRRK2HTR2AKDM4E | |
| Iodide SCHEMBL4717370 | 0.70 | GPR84 (0.65) | CYP2D6CYP1A2LRRK2HTR2AKDM4E | |
| SCHEMBL14044570 | 0.68 | ROCK2 (0.49) | CYP2D6CYP1A2LRRK2HTR2AROCK2 | |
| SCHEMBL26686566 | 0.68 | LRRK2 (0.44) | CYP2D6CYP1A2LRRK2ROCK2ROCK1 | |
| SCHEMBL25292209 | 0.68 | HTR6 (0.48) | CYP2D6CYP1A2LRRK2HTR2AHTR2C |
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-2002836-B1 | Cyclocondensed azaindoles active as kinase inhibitors | NERVIANO MEDICAL SCIENCES SRL (IT) | 2010-10-20 | — | — | EP | disclosed |
| EP-2002836-A1 | Cyclocondensed azaindoles active as kinase inhibitors | Nerviano Medical Sciences S.r.l. (IT) | 2008-12-17 | — | — | EP | disclosed |