Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.32 |
| ▸ | FEN1 | P39748 | 2/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.31 |
| ▸ | GCK | P35557 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL22650819 | 0.85 | HRH3 (0.39) | CHRNB2CHRNA4HRH3HRH1AKR1C3 | |
| SCHEMBL22650822 | 0.84 | CHRNB2 (0.37) | CHRNB2CHRNA4HRH3HRH1AKR1C3 | |
| SCHEMBL22650818 | 0.81 | PIK3CA (0.37) | HRH3HRH1ALOX5APFEN1L3MBTL3 | |
| SCHEMBL22650561 | 0.79 | TP53 (0.31) | CHRNB2CHRNA4AKR1C3 | |
| SCHEMBL22650730 | 0.78 | ALOX5AP (0.40) | CHRNB2CHRNA4HRH3ALOX5APFEN1 | |
| SCHEMBL22650564 | 0.74 | HRH3 (0.44) | HRH3ALOX5APFEN1 | |
| SCHEMBL29462389 | 0.72 | ALOX5AP (0.37) | CHRNB2CHRNA4ALOX5APFEN1AKR1C3 | |
| SCHEMBL22650368 | 0.72 | ALOX5AP (0.37) | CHRNB2CHRNA4ALOX5APFEN1AKR1C3 | |
| SCHEMBL22650562 | 0.69 | PIK3CA (0.35) | CHRNB2CHRNA4AKR1C3 | |
| SCHEMBL17055145 | 0.69 | CHRNB2 (0.39) | CHRNB2CHRNA4ALOX5APFEN1GCK |
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-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |