Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 3/20 | 0.40 |
| ▸ | NTRK2 | Q16620 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3986665 | 0.86 | NTRK1 (0.42) | NTRK1NTRK2GAAKMT2ALMNA | |
| SCHEMBL3976197 | 0.85 | NTRK1 (0.48) | NTRK1NTRK2GAAKMT2ALMNA | |
| SCHEMBL3979905 | 0.85 | NTRK1 (0.48) | NTRK1NTRK2GAAKMT2ALMNA | |
| SCHEMBL3976204 | 0.85 | NTRK1 (0.48) | NTRK1NTRK2GAAKMT2ALMNA | |
| SCHEMBL3981695 | 0.85 | NTRK1 (0.48) | NTRK1NTRK2GAAKMT2ALMNA | |
| SCHEMBL3976199 | 0.85 | NTRK1 (0.48) | NTRK1NTRK2GAAKMT2ALMNA | |
| SCHEMBL3981699 | 0.85 | NTRK1 (0.48) | NTRK1NTRK2GAAKMT2ALMNA | |
| SCHEMBL3981697 | 0.85 | NTRK1 (0.48) | NTRK1NTRK2GAAKMT2ALMNA | |
| SCHEMBL3978864 | 0.85 | MAPT (0.49) | NTRK1NTRK2GAAKMT2ALMNA | |
| SCHEMBL3979093 | 0.77 | NTRK1 (0.45) | NTRK1NTRK2GAAKMT2ALMNA |
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-1620409-B1 | QUINOXALIN-3-ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-01-09 | — | — | EP | disclosed |
| WO-2004096780-A1 | QUINOXALINONE-3- ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2004-11-11 | — | — | WO | disclosed |