Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.31 |
| ▸ | HPGDS | O60760 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.31 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.31 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| SCHEMBL18921404 | 1.00 | TNKS (0.34) | TNKSCHRNB2CHRNA4HPGDSCHRNB4 | |
| SCHEMBL22256508 | 1.00 | TNKS (0.34) | TNKSCHRNB2CHRNA4HPGDSCHRNB4 | |
| SCHEMBL29641343 | 1.00 | TNKS (0.34) | TNKSCHRNB2CHRNA4HPGDSCHRNB4 | |
| SCHEMBL22444813 | 1.00 | TNKS (0.34) | TNKSCHRNB2CHRNA4HPGDSCHRNB4 | |
| Trifluoroacetic Acid SCHEMBL29048254 | 0.86 | GPR6 (0.33) | TNKSCHRNB2CHRNA4 | |
| SCHEMBL18921319 | 0.79 | CHRNB2 (0.31) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1 | |
| SCHEMBL29966490 | 0.79 | CHRNB2 (0.31) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1 | |
| SCHEMBL18921312 | 0.79 | CHRNB2 (0.31) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1 | |
| SCHEMBL29966900 | 0.79 | CHRNB2 (0.31) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1 | |
| SCHEMBL25816442 | 0.79 | DRD2 (0.43) | TNKSCHRNB2CHRNA4CHRNA3CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108602809-B | Isoxazolidine derived inhibitors of receptor interacting protein kinase 1(RIPK 1) | 戴纳立制药公司 | 2022-09-30 | — | — | CN | disclosed |