Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NR5A2 | O00482 | 4/20 | 0.36 |
| ▸ | NR5A1 | Q13285 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8518186 | 0.97 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL8518361 | 0.95 | CYP1A2 (0.40) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL8518169 | 0.77 | CYP3A4 (0.36) | CYP2D6CYP19A1NR5A2NR5A1 | |
| SCHEMBL8518013 | 0.76 | TDP1 (0.44) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL8517952 | 0.75 | CYP3A4 (0.36) | CYP2D6CYP19A1NR5A2NR5A1 | |
| SCHEMBL8519357 | 0.73 | SCD (0.37) | NR5A2NR5A1 | |
| SCHEMBL8517789 | 0.73 | TDP1 (0.44) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL8517447 | 0.71 | CYP3A4 (0.37) | CYP2D6CYP19A1 | |
| SCHEMBL8518767 | 0.70 | SCD (0.37) | NR5A2NR5A1 | |
| SCHEMBL9238544 | 0.69 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0743938-B1 | SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 1999-04-21 | — | — | EP | disclosed |
| WO-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | disclosed |
| US-5393790-A | Diphenyl- or phenyl/pyridyl-substituted spiroheptenes, -octenes,-nonenes or -decenes; cyclooxygenase II inhibitors; side effect reduction; antipyretics; antiarthritic agents | G.D. SEARLE & CO. (US) | 1995-02-28 | — | — | US | disclosed |