Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.57 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.57 |
| ▸ | PRKCZ | Q05513 | 2/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18291534 | 1.00 | CHRNB2 (0.57) | CHRNB2CHRNA4PRKCZROCK1ROCK2 | |
| SCHEMBL20037640 | 0.91 | CHRNB2 (0.59) | CHRNB2CHRNA4PRKCZROCK1ROCK2 | |
| SCHEMBL19041965 | 0.90 | ROCK1 (0.52) | CHRNB2CHRNA4PRKCZROCK1ROCK2 | |
| SCHEMBL2589101 | 0.89 | SLC6A2 (0.47) | CHRNB2CHRNA4ROCK1ROCK2KCNH2 | |
| SCHEMBL22663476 | 0.81 | MPO (0.42) | ROCK1 | |
| SCHEMBL23377602 | 0.81 | CHRNB2 (0.61) | CHRNB2CHRNA4PRKCZ | |
| SCHEMBL20038195 | 0.81 | CHRNB2 (0.57) | CHRNB2CHRNA4PRKCZ | |
| SCHEMBL20038193 | 0.81 | CHRNB2 (0.57) | CHRNB2CHRNA4PRKCZ | |
| SCHEMBL18291183 | 0.81 | CHRNB2 (0.61) | CHRNB2CHRNA4PRKCZ | |
| SCHEMBL20255162 | 0.81 | CHRNB2 (0.57) | CHRNB2CHRNA4PRKCZ |
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 |