Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GHSR | Q92847 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5899110 | 0.91 | CYP3A4 (0.51) | GHSRCYP3A4CYP2D6CYP2C19MTNR1B | |
| SCHEMBL8200141 | 0.86 | CYP3A4 (0.51) | GHSRCYP3A4CYP2D6CYP2C19MTNR1B | |
| SCHEMBL8236839 | 0.85 | GHSR (0.44) | GHSRCYP3A4CYP2D6CYP2C19MTNR1B | |
| SCHEMBL5899098 | 0.84 | GHSR (0.47) | GHSRCYP3A4CYP2D6CYP2C19MTNR1B | |
| SCHEMBL5090978 | 0.84 | CYP3A4 (0.64) | CYP3A4CYP2D6CYP2C19MTNR1BMTNR1A | |
| SCHEMBL3541010 | 0.84 | CYP3A4 (0.64) | CYP3A4CYP2D6CYP2C19MTNR1BMTNR1A | |
| SCHEMBL8243627 | 0.83 | GHSR (0.49) | GHSRCYP3A4CYP2D6CYP2C19MTNR1B | |
| SCHEMBL5899111 | 0.83 | CYP3A4 (0.48) | GHSRCYP3A4CYP2D6CYP2C19MTNR1B | |
| SCHEMBL17821736 | 0.79 | MTNR1B (0.55) | CYP3A4CYP2D6CYP2C19MTNR1BLMNA | |
| SCHEMBL5899118 | 0.79 | CYP3A4 (0.47) | GHSRCYP3A4CYP2D6CYP2C19MTNR1B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6043253-A | TREATMENT OF DIABETES, OBESITY, LOWERING TRIGLYCERIDE OR CHOLESTEROL LEVELS, INCREASING HIGH DENSITY LIPOPROTEIN LEVELS OR DECREASING GUT MOTILITY, REDUCING NEUROGENIC INFLAMMATION, DEPRESSION OR GASTROINTESTINAL DISORDERS | MERCK & CO., INC. (US) | 2000-03-28 | — | — | US | disclosed |