Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL15314139 | 1.00 | CHRNB2 (0.34) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL7129808 | 0.79 | MEN1 (0.34) | ALDH1A1GAATSHR | |
| SCHEMBL8747991 | 0.77 | L3MBTL1 (0.34) | — | |
| SCHEMBL24271906 | 0.77 | CHRNB2 (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3GAA | |
| SCHEMBL24348966 | 0.77 | CHRNB2 (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3GAA | |
| SCHEMBL21078199 | 0.77 | KDM5A (0.33) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL21861432 | 0.77 | CHRNB2 (0.33) | CHRNB2CHRNA4CHRNB4CHRNA3HSD17B10 | |
| SCHEMBL4578522 | 0.74 | TSHR (0.49) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL4578516 | 0.74 | TSHR (0.39) | CHRNB2CHRNA4CHRNB4ALDH1A1HSD17B10 | |
| SCHEMBL27721767 | 0.74 | — | — |
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 |