Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2208302 | 0.93 | CHRNB4 (0.42) | CHRNB4CHRNA3CYP2C9S1PR1NLRP3 | |
| SCHEMBL4639854 | 0.89 | CYP2C9 (0.41) | CHRNB4CHRNA3CYP2C9KCNH2TRPM8 | |
| SCHEMBL4640975 | 0.89 | CHRNB4 (0.49) | CHRNB4CHRNA3CYP2C9KCNH2TRPM8 | |
| SCHEMBL4639958 | 0.88 | CHRNB4 (0.45) | CHRNB4CHRNA3CYP2C9KCNH2TRPM8 | |
| SCHEMBL2210855 | 0.81 | CHRNB4 (0.49) | CHRNB4CHRNA3SLC18A3NLRP3RECQL | |
| SCHEMBL4641139 | 0.81 | CHRNB4 (0.37) | CHRNB4CHRNA3CYP2C9KCNH2TRPM8 | |
| SCHEMBL4620189 | 0.81 | NLRP3 (0.47) | CHRNB4CHRNA3NLRP3RECQL | |
| SCHEMBL4640438 | 0.77 | NPC1 (0.39) | CHRNB4CHRNA3CYP2C9KCNH2TRPM8 | |
| SCHEMBL5011325 | 0.76 | MAPT (0.35) | CYP2C9CYP3A4 | |
| SCHEMBL5012233 | 0.75 | CNR2 (0.48) | — |
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 |