Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.37 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 4/20 | 0.36 |
| ▸ | MAP3K7 | O43318 | 4/20 | 0.36 |
| ▸ | TAB1 | Q15750 | 4/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | MELK | Q14680 | 1/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.35 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.35 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.35 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24723109 | 0.91 | MET (0.38) | JAK1HTR6MAP3K7TAB1GSK3B | |
| SCHEMBL24722965 | 0.88 | CYP1A2 (0.48) | JAK1CYP3A4PAK1MAP3K7TAB1 | |
| SCHEMBL24723287 | 0.88 | CYP3A4 (0.46) | JAK1CYP3A4CYP2D6PAK1TNIK | |
| SCHEMBL24723202 | 0.85 | MET (0.48) | HTR6FGFR1FGFR2FGFR3 | |
| SCHEMBL24723058 | 0.80 | PIM1 (0.36) | JAK1CYP3A4PAK1HTR6MAP3K7 | |
| SCHEMBL16697712 | 0.80 | DYRK1A (0.44) | CYP3A4CYP2D6HTR6GSK3BDYRK1A | |
| SCHEMBL25925229 | 0.79 | EGFR (0.39) | JAK1HTR6MAP3K7TAB1GSK3B | |
| SCHEMBL24723277 | 0.78 | HTR6 (0.37) | JAK1HTR6MAP3K7TAB1GSK3B | |
| SCHEMBL24723737 | 0.78 | HTR6 (0.35) | JAK1HTR6MAP3K7TAB1EGFR | |
| SCHEMBL25924810 | 0.75 | MET (0.40) | JAK1HTR6MAP3K7TAB1GSK3B |
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-2022166920-A1 | PYRROLOPYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 杭州中美华东制药有限公司 | 2022-08-11 | — | — | WO | disclosed |