Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 3/20 | 0.49 |
| ▸ | NCF1 | P14598 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18512260 | 0.81 | ALDH1A1 (0.38) | MCHR1MAPTKDM4ENPC1MAPK1 | |
| SCHEMBL30619418 | 0.78 | ERN1 (0.36) | MAPTKDM4EGAAMAPK1ALDH1A1 | |
| SCHEMBL26612238 | 0.78 | ERN1 (0.36) | MAPTKDM4EGAAMAPK1ALDH1A1 | |
| SCHEMBL7970266 | 0.75 | MCHR1 (0.50) | MCHR1NCF1MAPTTHRBKDM4E | |
| SCHEMBL2278549 | 0.73 | NQO1 (0.42) | KDM4EALDH1A1MITFMEN1KMT2A | |
| SCHEMBL9810196 | 0.73 | MCHR1 (0.52) | MCHR1NCF1MAPTTHRBKDM4E | |
| SCHEMBL359862 | 0.71 | MCHR1 (0.50) | MCHR1NCF1MAPTTHRBKDM4E | |
| SCHEMBL27770719 | 0.71 | PLAU (0.39) | NCF1NOS1NOS3NOS2 | |
| SCHEMBL3771034 | 0.71 | NOS3 (0.54) | MCHR1NCF1MAPTTHRBKDM4E | |
| SCHEMBL6073621 | 0.70 | MEN1 (0.43) | MAPTKDM4EL3MBTL1ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010017260-A1 | TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2010-02-11 | — | — | WO | disclosed |
| WO-2009020642-A1 | PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2009-02-12 | — | — | WO | disclosed |