Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | BHMT | Q93088 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6545646 | 0.80 | CCR2 (0.41) | CCR2KCNH2DRD3HRH3DRD4 | |
| SCHEMBL21190980 | 0.78 | EPHX2 (0.38) | ALDH1A1PDK1CYP2D6HIF1A | |
| SCHEMBL18531912 | 0.77 | CCR2 (0.40) | CCR2KCNH2DRD3HRH3DRD4 | |
| SCHEMBL10181368 | 0.72 | PDK1 (0.49) | CCR2KCNH2DRD3HRH3DRD4 | |
| SCHEMBL14968322 | 0.72 | HRH3 (0.43) | CCR2KCNH2DRD3HRH3DRD4 | |
| SCHEMBL24859542 | 0.72 | PDK1 (0.49) | CCR2KCNH2DRD3HRH3DRD4 | |
| SCHEMBL19488377 | 0.72 | PDK1 (0.49) | CCR2KCNH2DRD3HRH3DRD4 | |
| SCHEMBL12313691 | 0.72 | CCR2 (0.40) | CCR2KCNH2DRD3HRH3DRD4 | |
| SCHEMBL13887674 | 0.71 | HRH3 (0.46) | CCR2KCNH2DRD3HRH3DRD4 | |
| SCHEMBL9935153 | 0.71 | HRH3 (0.46) | CCR2KCNH2DRD3HRH3DRD4 |
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 |