Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HK1 | P19367 | 1/20 | 0.41 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7707974 | 0.94 | HCRTR2 (0.53) | SMN1; SMN2NPSR1POLBHCRTR1HCRTR2 | |
| SCHEMBL7704817 | 0.91 | SMN1; SMN2 (0.55) | SMN1; SMN2NPSR1POLBHCRTR1HCRTR2 | |
| SCHEMBL7702319 | 0.85 | HCRTR2 (0.47) | SMN1; SMN2NPSR1POLBHCRTR1HCRTR2 | |
| SCHEMBL2588992 | 0.83 | HCRTR2 (0.44) | SMN1; SMN2NPSR1POLBHCRTR1HCRTR2 | |
| SCHEMBL7708409 | 0.81 | HCRTR1 (0.68) | SMN1; SMN2NPSR1HCRTR1HCRTR2LMNA | |
| SCHEMBL7713640 | 0.79 | HCRTR2 (0.54) | POLBHCRTR1HCRTR2 | |
| SCHEMBL2592050 | 0.78 | THRB (0.46) | POLBHCRTR1HCRTR2PKM | |
| SCHEMBL7712435 | 0.77 | HCRTR2 (0.48) | HCRTR1HCRTR2GAA | |
| SCHEMBL2595050 | 0.77 | HCRTR2 (0.53) | SMN1; SMN2NPSR1POLBHCRTR1HCRTR2 | |
| SCHEMBL7702650 | 0.77 | HCRTR2 (0.78) | SMN1; SMN2POLBHCRTR1HCRTR2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011138265-A2 | INDOLE AND INDAZOLE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | EVOTEC AG (DE) | 2011-11-10 | — | — | WO | disclosed |