Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK1 | P49759 | 3/20 | 0.47 |
| ▸ | CLK2 | P49760 | 3/20 | 0.47 |
| ▸ | TTK | P33981 | 9/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 6/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.41 |
| ▸ | ULK1 | O75385 | 1/20 | 0.40 |
| ▸ | ULK2 | Q8IYT8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28668352 | 0.99 | TTK (0.48) | CLK1CLK2TTKDYRK1APIK3CB | |
| SCHEMBL21723695 | 0.83 | DYRK1A (0.38) | CLK1CLK2TTKDYRK1ADYRK3 | |
| SCHEMBL28663450 | 0.83 | DYRK1A (0.58) | CLK1CLK2TTKDYRK1AKDM4E | |
| SCHEMBL22264378 | 0.83 | DYRK1A (0.35) | CLK1CLK2TTKDYRK1APTK2 | |
| SCHEMBL28669973 | 0.82 | CLK1 (0.42) | CLK1CLK2TTKDYRK1APIK3CB | |
| SCHEMBL24059635 | 0.82 | CLK1 (0.53) | CLK1CLK2TTKDYRK1APIK3CB | |
| SCHEMBL30198649 | 0.82 | LRRK2 (0.55) | CLK1CLK2TTKDYRK1APIK3CB | |
| SCHEMBL30198713 | 0.82 | CLK1 (0.53) | CLK1CLK2TTKDYRK1APIK3CB | |
| SCHEMBL25107560 | 0.82 | LRRK2 (0.55) | CLK1CLK2TTKDYRK1APIK3CB | |
| SCHEMBL22232904 | 0.81 | CLK1 (0.53) | CLK1CLK2TTKDYRK1APIK3CB |
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-113574057-A | Heteroaryl derivatives and pharmaceutical compositions containing the same as active ingredient | 株式会社沃若诺伊 | 2021-10-29 | — | — | CN | claimed |