Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.36 |
| ▸ | CDK1 | P06493 | 3/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.36 |
| ▸ | PDE8B | O95263 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27156388 | 1.00 | AURKA (0.36) | AURKACDK1AURKBPDE8BIRAK4 | |
| SCHEMBL27156644 | 1.00 | AURKA (0.36) | AURKACDK1AURKBPDE8BIRAK4 | |
| SCHEMBL27156392 | 1.00 | AURKA (0.36) | AURKACDK1AURKBPDE8BIRAK4 | |
| SCHEMBL29819718 | 1.00 | AURKA (0.36) | AURKACDK1AURKBPDE8BIRAK4 | |
| SCHEMBL27156880 | 0.97 | AURKA (0.37) | AURKACDK1AURKBPDE8BIRAK4 | |
| SCHEMBL27156527 | 0.97 | AURKA (0.37) | AURKACDK1AURKBPDE8BIRAK4 | |
| SCHEMBL27156701 | 0.92 | IL1B (0.33) | AURKACDK1AURKBMDM4MDM2 | |
| SCHEMBL27156706 | 0.92 | IL1B (0.33) | AURKACDK1AURKBMDM4MDM2 | |
| SCHEMBL29819745 | 0.92 | IL1B (0.33) | AURKACDK1AURKBMDM4MDM2 | |
| SCHEMBL27156738 | 0.90 | AURKA (0.35) | AURKACDK1AURKBPDE8BOPRK1 |
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-2022197641-A1 | 1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-AMINE DERIVATIVES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS AND/OR INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES | RAPT THERAPEUTICS, INC. (US) | 2022-09-22 | — | — | WO | disclosed |