Predicted protein targets (top 18)
| 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 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.45 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | PAK1 | Q13153 | 3/20 | 0.42 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.42 |
| ▸ | MAP4K3 | Q8IVH8 | 7/20 | 0.41 |
| ▸ | PAK4 | O96013 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL25924810 | 0.86 | MET (0.40) | MAP3K7TAB1MET | |
| SCHEMBL25924720 | 0.85 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19 | |
| SCHEMBL24722965 | 0.84 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19 | |
| SCHEMBL25924807 | 0.83 | TNK2 (0.46) | CYP3A4MAP3K7TAB1MET | |
| SCHEMBL2752683 | 0.81 | PDPK1 (0.47) | — | |
| SCHEMBL15607373 | 0.81 | MCL1 (0.38) | — | |
| SCHEMBL13745547 | 0.81 | HTR6 (0.42) | CYP2C19 | |
| SCHEMBL13620691 | 0.80 | HTR6 (0.53) | CYP2C19 | |
| SCHEMBL2753717 | 0.79 | HTR6 (0.39) | — | |
| SCHEMBL16703404 | 0.79 | HTR6 (0.53) | 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-2023131271-A1 | PYRROLE FUSED-RING PYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 杭州中美华东制药有限公司 | 2023-07-13 | — | — | WO | disclosed |