Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 3/20 | 0.56 |
| ▸ | CDK8 | P49336 | 2/20 | 0.44 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | CLK2 | P49760 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.44 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.44 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.43 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 2/20 | 0.42 |
| ▸ | CCNC | P24863 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | GAK | O14976 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL669631 | 0.86 | NR4A2 (0.56) | NR4A2ABL1GSK3AGSK3BACVR1 | |
| SCHEMBL28029894 | 0.83 | AR (0.49) | NR4A2ARCNR1CYP1A2MAPT | |
| SCHEMBL11891560 | 0.82 | NR4A2 (0.56) | NR4A2CDK8PDGFRBAAK1SOS2 | |
| SCHEMBL30632276 | 0.80 | CDK8 (0.46) | CDK8CLK2ACVR1CLK4DYRK1B | |
| SCHEMBL20392593 | 0.79 | SLC22A12 (0.52) | CDK8ABL1ACVR1AAK1AR | |
| SCHEMBL28819002 | 0.79 | RIPK2 (0.47) | ARPARP1RIPK2MAPTKMT2A | |
| SCHEMBL3935913 | 0.79 | HTR1A (0.50) | CDK8ACVR1CLK4ARPARP1 | |
| SCHEMBL13676600 | 0.76 | RIPK2 (0.45) | CDK8ABL1CLK2GSK3BCLK4 | |
| SCHEMBL10914959 | 0.75 | AR (0.44) | ARHCAR1MAPTSMN1; SMN2 | |
| SCHEMBL30051309 | 0.75 | NR4A2 (0.66) | NR4A2CDK8DYRK1BSOS2CCNC |
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-108884061-A | 1,2,4- triazine -3- amine derivant, preparation method and its application in medicine | 江苏恒瑞医药股份有限公司 | 2018-11-23 | — | — | CN | disclosed |