Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 8/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL4065377 | 0.73 | CYP2A6 (0.34) | CYP2A6 | |
| SCHEMBL21295604 | 0.71 | MAOB (0.35) | CYP2A6MAPTLMNA | |
| SCHEMBL11617762 | 0.71 | CYP2A6 (0.53) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL28573352 | 0.70 | MAPT (0.41) | CYP2A6SMN1; SMN2MAPTLMNA | |
| SCHEMBL4363866 | 0.70 | ROCK1 (0.53) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL547198 | 0.70 | ADRA2A (0.40) | — | |
| SCHEMBL29017448 | 0.69 | CYP2A6 (0.64) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL3682441 | 0.67 | CYP2A6 (0.62) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL3816084 | 0.67 | CYP2A6 (0.32) | CYP2A6 | |
| SCHEMBL7917778 | 0.67 | CYP2A6 (0.62) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 |
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-1737471-A2 | PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES | RND Pharmaceuticals (US) | 2007-01-03 | — | — | EP | claimed |
| WO-2005102358-A2 | SILICONE-SUBSTITUTED COX-2 SELECTIVE INHIBITORS | RND PHARMACEUTICALS (US) | 2005-11-03 | — | — | WO | claimed |