Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL2210658 | 0.90 | CHRNB4 (0.36) | CHRNB4CHRNA3KIF11PTGS1PTGS2 | |
| SCHEMBL4643542 | 0.84 | CHRNB4 (0.55) | CHRNB4CHRNA3KCNH2CYP2C9 | |
| SCHEMBL2206356 | 0.76 | CHRNB4 (0.39) | CHRNB4CHRNA3KIF11PTGS1PTGS2 | |
| SCHEMBL4641139 | 0.73 | CHRNB4 (0.37) | CHRNB4CHRNA3KCNH2CYP2C9 | |
| SCHEMBL2205534 | 0.72 | CHRNB4 (0.52) | CHRNB4CHRNA3 | |
| SCHEMBL12434594 | 0.72 | CHRNB4 (0.37) | CHRNB4CHRNA3 | |
| SCHEMBL4640229 | 0.71 | CHRNB4 (0.42) | CHRNB4CHRNA3KCNH2CYP2C9 | |
| SCHEMBL2208210 | 0.71 | CHRNB4 (0.36) | CHRNB4CHRNA3KIF11 | |
| SCHEMBL2206353 | 0.69 | CHRNB4 (0.34) | CHRNB4CHRNA3KIF11 | |
| SCHEMBL2208302 | 0.69 | CHRNB4 (0.42) | CHRNB4CHRNA3CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1888542-A1 | SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2008-02-20 | — | — | EP | claimed |
| WO-2006136245-A1 | SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2006-12-28 | — | — | WO | claimed |