Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 6/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.40 |
| ▸ | REN | P00797 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 2/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22272613 | 0.96 | DYRK1A (0.46) | DYRK1AMAOAGSK3BNOS3NOS1 | |
| SCHEMBL22272533 | 0.86 | DYRK1A (0.43) | DYRK1AGSK3BNOS3NOS1NOS2 | |
| SCHEMBL22272939 | 0.85 | DYRK1A (0.44) | DYRK1AMAOAGSK3BNOS3NOS1 | |
| SCHEMBL30091626 | 0.85 | DYRK1A (0.44) | DYRK1AMAOAGSK3BNOS3NOS1 | |
| SCHEMBL25877728 | 0.84 | DYRK1A (0.64) | DYRK1AGSK3BNOS3NOS1NOS2 | |
| SCHEMBL23927511 | 0.84 | TSHR (0.46) | DYRK1AGSK3BAAK1KDM4E | |
| SCHEMBL30091686 | 0.84 | TSHR (0.46) | DYRK1AGSK3BAAK1KDM4E | |
| SCHEMBL22273007 | 0.82 | DYRK1A (0.42) | DYRK1AGSK3BAAK1 | |
| SCHEMBL25877884 | 0.82 | DYRK1A (0.42) | DYRK1AGSK3BNOS3NOS1NOS2 | |
| SCHEMBL23956537 | 0.81 | DYRK1A (0.41) | DYRK1AMAOAGSK3BAAK1REN |
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-2023138433-A2 | AMIDE COMPOUND HAVING RIPK1 INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND USE THEREOF | 中国科学院上海药物研究所 | 2023-07-27 | — | — | WO | disclosed |