Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.48 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.48 |
| ▸ | CYP3A43 | Q9HB55 | 2/20 | 0.48 |
| ▸ | PAK1 | Q13153 | 5/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.44 |
| ▸ | PAK4 | O96013 | 4/20 | 0.43 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.43 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.43 |
| ▸ | MET | P08581 | 3/20 | 0.41 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.41 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24722970 | 0.88 | JAK1 (0.39) | CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19 | |
| SCHEMBL24723109 | 0.86 | MET (0.38) | MAP3K7TAB1METJAK1 | |
| SCHEMBL25924808 | 0.84 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19 | |
| SCHEMBL24723202 | 0.83 | MET (0.48) | MET | |
| SCHEMBL16703404 | 0.79 | HTR6 (0.53) | CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19 | |
| Hydrochloric Acid SCHEMBL16697723 | 0.78 | HTR6 (0.52) | CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19 | |
| SCHEMBL25924720 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19 | |
| SCHEMBL24723058 | 0.76 | PIM1 (0.36) | CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19 | |
| SCHEMBL24723287 | 0.76 | CYP3A4 (0.46) | CYP3A4PAK1MAP3K7TAB1JAK1 | |
| SCHEMBL24722878 | 0.75 | MAP3K7 (0.35) | CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19 |
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 |