Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 20/20 | 0.58 |
| ▸ | HCRTR1 | O43613 | 19/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL17501812 | 0.88 | HCRTR2 (0.65) | HCRTR2HCRTR1 | |
| SCHEMBL17539262 | 0.86 | HCRTR2 (0.64) | HCRTR2HCRTR1 | |
| SCHEMBL2358754 | 0.86 | HCRTR2 (0.64) | HCRTR2HCRTR1 | |
| SCHEMBL19894067 | 0.86 | HCRTR2 (0.51) | HCRTR2HCRTR1CYP3A4 | |
| Hydrochloric Acid SCHEMBL19893890 | 0.85 | HCRTR2 (0.50) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL20212712 | 0.81 | HCRTR2 (0.54) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL19894142 | 0.81 | HCRTR2 (0.62) | HCRTR2HCRTR1 | |
| Hydrochloric Acid SCHEMBL19894103 | 0.80 | HCRTR2 (0.61) | HCRTR2HCRTR1 | |
| SCHEMBL19903058 | 0.80 | HCRTR2 (0.51) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL19903005 | 0.80 | HCRTR2 (0.53) | HCRTR2HCRTR1CYP3A4 |
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-2349270-A1 | 2,5-DISUBSTITUTED MORPHOLINE OREXIN RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010048013-A1 | 2,5-DISUBSTITUTED MORPHOLINE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-04-29 | — | — | WO | disclosed |