Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13372442 | 0.78 | NOTUM (0.55) | NOTUMROCK1GPR3DRD2DRD4 | |
| SCHEMBL22240446 | 0.78 | NOTUM (0.55) | NOTUMROCK1GPR3DRD2DRD4 | |
| SCHEMBL2625781 | 0.78 | NOTUM (0.55) | NOTUMROCK1GPR3DRD2DRD4 | |
| SCHEMBL18681421 | 0.78 | NOTUM (0.55) | NOTUMROCK1GPR3DRD2DRD4 | |
| SCHEMBL13068262 | 0.77 | NOTUM (0.53) | NOTUMROCK1GPR3DRD2DRD4 | |
| SCHEMBL13846633 | 0.77 | NOTUM (0.53) | NOTUMROCK1GPR3DRD2DRD4 | |
| SCHEMBL31302719 | 0.76 | NOTUM (0.49) | NOTUMROCK1GPR3DRD2DRD4 | |
| SCHEMBL14218868 | 0.74 | NOTUM (0.50) | NOTUMROCK1GPR3DRD2DRD4 | |
| SCHEMBL13823637 | 0.74 | NOTUM (0.50) | NOTUMROCK1GPR3DRD2DRD4 | |
| SCHEMBL13209359 | 0.74 | NOTUM (0.50) | NOTUMROCK1GPR3DRD2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109863147-A | Compound and application thereof with ERK kinase inhibiting activity | 上海海和药物研究开发有限公司 | 2019-06-07 | — | — | CN | disclosed |