Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.53 |
| ▸ | RET | P07949 | 1/20 | 0.53 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.53 |
| ▸ | PIM1 | P11309 | 1/20 | 0.53 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.53 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.53 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.53 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.53 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.53 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3417260 | 0.87 | TP53 (0.57) | GAATP53CHEK1RETPDGFRB | |
| SCHEMBL27909175 | 0.84 | ALPL (0.55) | RETRAB9AALPLCA9ALOX15 | |
| SCHEMBL28015306 | 0.81 | BACE1 (0.49) | TP53ADORA3ACRRAB9APOLB | |
| SCHEMBL10673565 | 0.81 | GAA (0.49) | GAATP53CHEK1RETPDGFRB | |
| SCHEMBL27894413 | 0.79 | ALPL (0.57) | TP53RAB9AALPLALOX15MEN1 | |
| SCHEMBL7644462 | 0.78 | L3MBTL1 (0.58) | GAATP53CHEK1RETPDGFRB | |
| SCHEMBL27865531 | 0.75 | CYP3A4 (0.40) | GAATP53BACE1MAPTSMN1; SMN2 | |
| SCHEMBL17280250 | 0.75 | RAB9A (0.53) | GAATP53CHEK1RETPDGFRB | |
| SCHEMBL10242682 | 0.75 | TP53 (0.74) | GAATP53CHEK1RETPDGFRB | |
| SCHEMBL2374336 | 0.73 | L3MBTL1 (0.53) | GAATP53CHEK1RETPDGFRB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102906093-B | NK-3 receptor selective antagonists compound, pharmaceutical composition and the using method in the receptor-mediated disease of NK-3 | EUROSCREEN S.A. (BE) | 2016-01-13 | — | — | CN | disclosed |
| CN-102906093-A | Novel nk-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in nk-3 receptors mediated disorders | EUROSCREEN SA | 2013-01-30 | — | — | CN | disclosed |