Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8284590 | 0.88 | CYP3A4 (0.45) | CYP3A4ATMSLC6A2SLC6A3PGR | |
| SCHEMBL30567467 | 0.83 | ALDH1A1 (0.52) | CYP3A4ATMSLC6A2SLC6A3PGR | |
| SCHEMBL85405 | 0.83 | ALDH1A1 (0.52) | CYP3A4ATMSLC6A2SLC6A3PGR | |
| SCHEMBL14349288 | 0.80 | CYP3A4 (0.45) | CYP3A4ATMSLC6A2SLC6A3PGR | |
| SCHEMBL20222611 | 0.80 | CYP3A4 (0.45) | CYP3A4ATMSLC6A2SLC6A3PGR | |
| SCHEMBL933157 | 0.80 | CYP3A4 (0.50) | CYP3A4ATMSLC6A2SLC6A3PGR | |
| SCHEMBL22338921 | 0.80 | CYP3A4 (0.45) | CYP3A4ATMSLC6A2SLC6A3PGR | |
| SCHEMBL5288474 | 0.80 | CYP3A4 (0.45) | CYP3A4ATMSLC6A2SLC6A3PGR | |
| Hydrochloric Acid SCHEMBL12614854 | 0.78 | CYP3A4 (0.44) | CYP3A4ATMSLC6A2SLC6A3PGR | |
| SCHEMBL1744766 | 0.77 | ALDH1A1 (0.52) | CYP3A4ATMSLC6A2SLC6A3PGR |
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-2008077557-A1 | 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS | SCHWARZ PHARMA AG (DE) | 2008-07-03 | — | — | WO | disclosed |