Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 8/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 4/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.34 |
| ▸ | CCND1 | P24385 | 2/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18291197 | 0.83 | CHRNB2 (0.45) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL18291205 | 0.83 | CHRNB2 (0.45) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL18291200 | 0.83 | CHRNB2 (0.45) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL20249486 | 0.81 | CHRNB2 (0.36) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL20249452 | 0.81 | CHRNB2 (0.36) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL20249484 | 0.81 | CHRNB2 (0.36) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL20255220 | 0.81 | CHRNB2 (0.38) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL18291328 | 0.81 | CHRNB2 (0.45) | CHRNB4CHRNA3CHRNB2CHRNA4IRAK4 | |
| SCHEMBL20255093 | 0.81 | CHRNB2 (0.38) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL25738410 | 0.80 | AR (0.41) | IRAK4 |
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 |