Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.49 |
| ▸ | RAD52 | P43351 | 1/20 | 0.48 |
| ▸ | PIM1 | P11309 | 2/20 | 0.41 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | CDK4 | P11802 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | LATS1 | O95835 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25707165 | 1.00 | CHRNB2 (0.49) | CHRNB2CHRNA4RAD52PIM1PIM3 | |
| SCHEMBL20038550 | 1.00 | CHRNB2 (0.49) | CHRNB2CHRNA4RAD52PIM1PIM3 | |
| SCHEMBL20038549 | 0.84 | RAD52 (0.42) | CHRNB2CHRNA4RAD52PIM1PIM3 | |
| SCHEMBL20255571 | 0.84 | RAD52 (0.42) | CHRNB2CHRNA4RAD52PIM1PIM3 | |
| SCHEMBL31247676 | 0.84 | CHRNB2 (0.56) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL18291312 | 0.84 | CHRNB2 (0.48) | CHRNB2CHRNA4RAD52ROCK2ROCK1 | |
| SCHEMBL18291343 | 0.84 | CHRNB2 (0.48) | CHRNB2CHRNA4RAD52ROCK2ROCK1 | |
| SCHEMBL14917652 | 0.84 | CHRNB2 (0.48) | CHRNB2CHRNA4RAD52ROCK2ROCK1 | |
| SCHEMBL13491002 | 0.81 | PIM1 (0.45) | RAD52PIM1PIM3PIM2ROCK2 | |
| SCHEMBL20249411 | 0.81 | RAD52 (0.40) | CHRNB2CHRNA4RAD52ROCK2ROCK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016194831-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | 帝人ファーマ株式会社 | 2016-12-08 | — | — | WO | disclosed |