Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 9/20 | 0.51 |
| ▸ | KDR | P35968 | 3/20 | 0.42 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.38 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.38 |
| ▸ | FLT1 | P17948 | 2/20 | 0.37 |
| ▸ | FLT4 | P35916 | 2/20 | 0.37 |
| ▸ | IGF1R | P08069 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19089467 | 0.91 | KDR (0.44) | ROCK1KDREGFRMAPK8MAPK9 | |
| Phenylmethanesulfonic Acid SCHEMBL35210294 | 0.90 | KDR (0.42) | ROCK1KDREGFRMAPK8MAPK9 | |
| SCHEMBL19089686 | 0.89 | MAPK8 (0.43) | ROCK1KDREGFRMAPK8MAPK9 | |
| SCHEMBL19089606 | 0.88 | EGFR (0.51) | ROCK1KDREGFRHTR1AALK | |
| SCHEMBL19337070 | 0.85 | EGFR (0.43) | ROCK1KDREGFR | |
| SCHEMBL30930115 | 0.85 | KDR (0.43) | ROCK1KDREGFRMAPK8MAPK9 | |
| SCHEMBL18586191 | 0.85 | KDR (0.43) | ROCK1KDREGFRMAPK8MAPK9 | |
| SCHEMBL20637691 | 0.83 | KDR (0.41) | ROCK1KDREGFRMAPK8MAPK9 | |
| SCHEMBL19337104 | 0.81 | EGFR (0.54) | KDREGFR | |
| SCHEMBL30467909 | 0.81 | EGFR (0.54) | KDREGFR |
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-2017114500-A1 | ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY | 恩瑞生物医药科技（上海）有限公司 | 2017-07-06 | — | — | WO | disclosed |