Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 6/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.38 |
| ▸ | GCK | P35557 | 4/20 | 0.34 |
| ▸ | GCKR | Q14397 | 5/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | HTR2B | P41595 | 3/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18291205 | 0.84 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRNB4CHRNA3HTR2A | |
| SCHEMBL20255093 | 0.84 | CHRNB2 (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3HTR2A | |
| SCHEMBL18291197 | 0.84 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRNB4CHRNA3HTR2A | |
| SCHEMBL20255220 | 0.84 | CHRNB2 (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3HTR2A | |
| SCHEMBL18291200 | 0.84 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRNB4CHRNA3HTR2A | |
| SCHEMBL20249484 | 0.82 | CHRNB2 (0.36) | CHRNB2CHRNA4CHRNB4CHRNA3GCKR | |
| SCHEMBL20249452 | 0.82 | CHRNB2 (0.36) | CHRNB2CHRNA4CHRNB4CHRNA3GCKR | |
| SCHEMBL20249486 | 0.82 | CHRNB2 (0.36) | CHRNB2CHRNA4CHRNB4CHRNA3GCKR | |
| SCHEMBL20037513 | 0.81 | CDK4 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3IRAK4 | |
| SCHEMBL18291343 | 0.79 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNB4CHRNA3HTR2A |
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 |