Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.54 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.54 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 5/20 | 0.37 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.37 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 3/20 | 0.36 |
| ▸ | KDR | P35968 | 3/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL570533 | 0.79 | HAO1 (0.50) | MAPK1MAP2K4MAPKAPK2MAPK6ADRA2A | |
| SCHEMBL2723270 | 0.78 | MAP2K4 (0.49) | MAPK1MAP2K4MAPKAPK2MAPK6ADRA2A | |
| Hydrochloric Acid SCHEMBL9444673 | 0.78 | HAO1 (0.49) | MAPK1MAP2K4MAPKAPK2MAPK6ADRA2A | |
| SCHEMBL3779528 | 0.78 | MAP2K4 (0.49) | MAPK1MAP2K4MAPKAPK2MAPK6ADRA2A | |
| SCHEMBL28445675 | 0.74 | MAPK1 (0.60) | MAPK1MAP2K4MAPKAPK2MAPK6ADRA2A | |
| SCHEMBL8404437 | 0.74 | MAPK1 (0.54) | MAPK1MAP2K4MAPKAPK2MAPK6ADRA2A | |
| SCHEMBL19675209 | 0.73 | KDM4E (0.57) | CTNNB1WNT3AKDM4EHIF1AYTHDC1 | |
| SCHEMBL15154819 | 0.71 | MAP2K4 (0.43) | MAPK1MAP2K4MAPKAPK2MAPK6ADRA2A | |
| SCHEMBL24455090 | 0.71 | MAPK1 (0.51) | MAPK1MAP2K4MAPKAPK2MAPK6ADRA2A | |
| SCHEMBL12866145 | 0.71 | MAP2K4 (0.51) | MAPK1MAP2K4MAPKAPK2MAPK6ADRA2A |
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-107428731-A | Substituted 2-hydro-pyrazole derivatives as anti-cancer agents | 正大天晴药业集团股份有限公司 | 2017-12-01 | — | — | CN | disclosed |