Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 10/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | CASR | P41180 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4640229 | 0.89 | CHRNB4 (0.42) | CYP2C9CHRNB4CHRNA3KCNH2TRPM8 | |
| SCHEMBL4640975 | 0.89 | CHRNB4 (0.49) | CYP2C9CHRNB4CHRNA3KCNH2TRPM8 | |
| SCHEMBL4639958 | 0.86 | CHRNB4 (0.45) | CYP2C9CHRNB4CHRNA3KCNH2TRPM8 | |
| SCHEMBL2208302 | 0.82 | CHRNB4 (0.42) | CYP2C9CHRNB4CHRNA3S1PR1ALDH1A1 | |
| SCHEMBL2210855 | 0.81 | CHRNB4 (0.49) | CHRNB4CHRNA3KDM4EALDH1A1CYP1A2 | |
| SCHEMBL4620189 | 0.78 | NLRP3 (0.47) | CHRNB4CHRNA3ALDH1A1POLB | |
| SCHEMBL4640438 | 0.77 | NPC1 (0.39) | CYP2C9CHRNB4CHRNA3KCNH2TRPM8 | |
| SCHEMBL16175808 | 0.75 | TRPM8 (0.47) | TRPM8 | |
| SCHEMBL4641139 | 0.70 | CHRNB4 (0.37) | CYP2C9CHRNB4CHRNA3KCNH2TRPM8 | |
| SCHEMBL26552885 | 0.69 | CYP2C9 (0.35) | CYP2C9CHRNB4CHRNA3KCNH2TRPM8 |
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 4 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 |
| EP-1888542-A1 | SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006136245-A1 | SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2006-12-28 | — | — | WO | disclosed |