Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | NR5A2 | O00482 | 9/20 | 0.31 |
| ▸ | NR5A1 | Q13285 | 7/20 | 0.31 |
| ▸ | ESR1 | P03372 | 2/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.30 |
| ▸ | TACR2 | P21452 | 2/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SHBG | P04278 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HSPD1 | P10809 | 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 | |
|---|---|---|---|---|
| SCHEMBL8518767 | 0.91 | SCD (0.37) | SCDNR5A2NR5A1 | |
| SCHEMBL8519357 | 0.91 | SCD (0.37) | SCDNR5A2NR5A1 | |
| SCHEMBL2335039 | 0.71 | SCD (0.46) | SCDTSHRTHRBPTGS2CYP3A4 | |
| SCHEMBL3802053 | 0.71 | SCD (0.64) | SCDTSHRTHRBPTGS2CYP3A4 | |
| SCHEMBL11238492 | 0.69 | SCD (0.68) | SCDTSHRTHRBPTGS2CYP3A4 | |
| SCHEMBL7753696 | 0.69 | SCD (0.68) | SCDTSHRTHRBPTGS2CYP3A4 | |
| SCHEMBL9340336 | 0.69 | SCD (0.50) | SCDTSHRTHRBPTGS2CYP3A4 | |
| SCHEMBL822308 | 0.67 | SCD (0.43) | SCDTSHRTHRBPTGS2CYP3A4 | |
| SCHEMBL2347946 | 0.65 | SCD (0.52) | SCDTSHRTHRBPTGS2CYP3A4 | |
| SCHEMBL678379 | 0.65 | MEN1 (0.42) | SCDTSHRTHRBPTGS2CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0889878-B1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2002-09-04 | — | — | EP | disclosed |
| EP-0743938-B1 | SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 1999-04-21 | — | — | EP | disclosed |
| EP-0743938-A1 | SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-11-27 | — | — | EP | disclosed |
| WO-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | disclosed |
| WO-1995021817-A1 | SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-08-17 | — | — | 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 |