Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21190970 | 0.81 | ALDH1A1 (0.33) | CYP2D6HIF1AALDH1A1 | |
| SCHEMBL21191148 | 0.80 | ALDH1A1 (0.33) | CYP2D6HIF1AALDH1A1 | |
| SCHEMBL21190945 | 0.73 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL20179877 | 0.70 | PTGIR (0.30) | — | |
| SCHEMBL20179863 | 0.69 | CYP2D6 (0.34) | CYP2D6HIF1AALDH1A1 | |
| SCHEMBL22329115 | 0.69 | SLC6A9 (0.33) | — | |
| SCHEMBL20179893 | 0.68 | ALDH1A1 (0.33) | CYP2D6HIF1AALDH1A1 | |
| SCHEMBL22220093 | 0.68 | — | — | |
| SCHEMBL22220094 | 0.68 | — | — | |
| SCHEMBL2420874 | 0.67 | ALDH1A1 (0.45) | CYP2D6HIF1AALDH1A1 |
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-2018090862-A1 | DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2018-05-24 | — | — | WO | disclosed |