Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | PRKACG | P22612 | 1/20 | 0.38 |
| ▸ | PRKACB | P22694 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.36 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20038413 | 1.00 | ACVR1 (0.41) | ACVR1PRKACAPRKACGPRKACBATR | |
| SCHEMBL27392494 | 0.81 | PRKACA (0.38) | ACVR1PRKACAPRKACGPRKACBATR | |
| SCHEMBL27392495 | 0.81 | PRKACA (0.38) | ACVR1PRKACAPRKACGPRKACBATR | |
| SCHEMBL20037455 | 0.81 | DRD2 (0.48) | ACVR1PRKACAPRKACGPRKACBATR | |
| SCHEMBL20038364 | 0.81 | PRKACA (0.38) | ACVR1PRKACAPRKACGPRKACBATR | |
| SCHEMBL30920981 | 0.81 | PRKACA (0.38) | ACVR1PRKACAPRKACGPRKACBATR | |
| SCHEMBL20037654 | 0.81 | DRD2 (0.48) | ACVR1PRKACAPRKACGPRKACBATR | |
| SCHEMBL20249473 | 0.80 | ATR (0.40) | ACVR1PRKACAPRKACGPRKACBATR | |
| SCHEMBL20249483 | 0.80 | ATR (0.40) | ACVR1PRKACAPRKACGPRKACBATR | |
| SCHEMBL20249490 | 0.80 | ATR (0.40) | ACVR1PRKACAPRKACGPRKACBATR |
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 |