Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 8/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 8/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11100815 | 0.78 | CHRM5 (0.56) | CHRM5ALDH1A1TSHRGRM2HCRTR1 | |
| SCHEMBL4537702 | 0.76 | HCRTR1 (0.54) | CHRM5ALDH1A1TSHRHCRTR1HCRTR2 | |
| SCHEMBL15616953 | 0.70 | CHRM5 (0.60) | CHRM5ALDH1A1TSHRPIM1 | |
| SCHEMBL9677874 | 0.70 | CHRM5 (0.60) | CHRM5HCRTR1HCRTR2 | |
| SCHEMBL25375303 | 0.69 | ALDH1A1 (0.50) | CHRM5ALDH1A1TSHRGRM2HCRTR1 | |
| SCHEMBL27911199 | 0.68 | ACACB (0.56) | ALDH1A1TSHRGRM2HCRTR1HCRTR2 | |
| SCHEMBL12625981 | 0.67 | ALDH1A1 (0.66) | CHRM5ALDH1A1TSHRGRM2HTR2C | |
| SCHEMBL7952768 | 0.67 | CA1 (0.51) | CHRM5ALDH1A1TSHRHCRTR1HCRTR2 | |
| SCHEMBL2097565 | 0.66 | CHRM5 (0.52) | CHRM5ALDH1A1HTR2C | |
| SCHEMBL745993 | 0.66 | GRM2 (0.51) | CHRM5ALDH1A1TSHRGRM2HCRTR1 |
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-2429523-A1 | THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2012-03-21 | — | — | EP | claimed |
| WO-2010131191-A1 | THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-11-18 | — | — | WO | claimed |
| EP-2429523-A1 | THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010131191-A1 | THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-11-18 | — | — | WO | disclosed |