Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 9/20 | 0.60 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.60 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.60 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.60 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.60 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.60 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.60 |
| ▸ | CHRNG | P07510 | 1/20 | 0.60 |
| ▸ | CHRND | Q07001 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL14255989 | 0.87 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL586350 | 0.85 | CHRNB2 (0.60) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL10280025 | 0.84 | CHRNB2 (0.66) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL31680951 | 0.84 | CHRNB2 (0.66) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL2240323 | 0.84 | CHRNB2 (0.66) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL14255984 | 0.81 | CHRNB2 (0.46) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL14346749 | 0.80 | CHRNB2 (0.69) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL3939235 | 0.80 | CHRNB2 (0.69) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL28049595 | 0.80 | CHRNB2 (0.60) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL2299359 | 0.78 | TDP1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3305785-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Teijin Pharma Limited (JP) | 2018-04-11 | — | — | EP | disclosed |