Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | XBP1 | P17861 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | MIF | P14174 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL2208210 | 0.93 | CHRNB4 (0.36) | CHRNB4CHRNA3ALDH1A1MIFHTT | |
| SCHEMBL4640229 | 0.81 | CHRNB4 (0.42) | CHRNB4CHRNA3CYP2C9KCNH2TRPM8 | |
| SCHEMBL2206353 | 0.79 | CHRNB4 (0.34) | CHRNB4CHRNA3MIFGAA | |
| SCHEMBL12434594 | 0.77 | CHRNB4 (0.37) | CHRNB4CHRNA3SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL5124118 | 0.75 | KMT2A (0.38) | KCNH2 | |
| SCHEMBL2208302 | 0.74 | CHRNB4 (0.42) | CHRNB4CHRNA3CYP2C9ALDH1A1TP53 | |
| SCHEMBL2206356 | 0.74 | CHRNB4 (0.39) | CHRNB4CHRNA3SMN1; SMN2LMNAMIF | |
| SCHEMBL5012239 | 0.74 | KMT2A (0.37) | KCNH2MIF | |
| SCHEMBL4643127 | 0.73 | CHRNB4 (0.40) | CHRNB4CHRNA3CYP2C9KCNH2 | |
| SCHEMBL5124828 | 0.71 | MEN1 (0.44) | SMN1; SMN2ALDH1A1LMNATP53HTT |
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 |