Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 3/20 | 0.33 |
| ▸ | SPR | P35270 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SCN1A | P35498 | 1/20 | 0.31 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.31 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12045659 | 0.85 | CYP1A2 (0.43) | USP2CYP1A2CYP2C9CYP2D6 | |
| SCHEMBL4463404 | 0.81 | CYP2C19 (0.33) | HSD11B1SPRUSP2CYP1A2CYP2C9 | |
| SCHEMBL26806776 | 0.79 | CYP2C9 (0.50) | USP2CYP1A2CYP2C9CYP2D6 | |
| SCHEMBL26807125 | 0.79 | HSD11B1 (0.39) | HSD11B1USP2CYP1A2CYP2C9CYP2D6 | |
| SCHEMBL26620243 | 0.78 | SMN1; SMN2 (0.39) | USP2CYP1A2CYP2C9CYP2D6 | |
| SCHEMBL27098393 | 0.77 | HSD11B1 (0.31) | HSD11B1 | |
| SCHEMBL23188165 | 0.76 | CYP1A2 (0.37) | HSD11B1CYP1A2CYP2C9CYP2D6 | |
| SCHEMBL24341888 | 0.76 | MAPT (0.42) | HSD11B1CYP1A2CYP2C9CYP2D6 | |
| SCHEMBL22605402 | 0.76 | ALDH1A1 (0.46) | CYP1A2POLB | |
| SCHEMBL18701743 | 0.76 | CYP3A4 (0.38) | HSD11B1 |
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 |