Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 19/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13260960 | 0.92 | ADORA1 (0.63) | ADORA1SLC6A3 | |
| SCHEMBL7895333 | 0.91 | ADORA1 (0.63) | ADORA1SLC6A3 | |
| SCHEMBL7904181 | 0.90 | ADORA1 (0.51) | ADORA1SLC6A3KDM4EMAPTHPGD | |
| SCHEMBL7901547 | 0.89 | ADORA1 (0.48) | ADORA1SLC6A3 | |
| SCHEMBL7899855 | 0.89 | ADORA1 (0.53) | ADORA1SLC6A3KDM4EMAPTHPGD | |
| Trifluoroacetic Acid SCHEMBL3726381 | 0.88 | ADORA1 (0.58) | ADORA1SLC6A3 | |
| Trifluoroacetic Acid SCHEMBL3728377 | 0.87 | ADORA1 (0.58) | ADORA1SLC6A3 | |
| SCHEMBL7900548 | 0.87 | ADORA1 (0.55) | ADORA1SLC6A3KDM4E | |
| SCHEMBL13227890 | 0.85 | ADORA1 (0.58) | ADORA1SLC6A3 | |
| SCHEMBL21134572 | 0.85 | ADORA1 (0.65) | ADORA1SLC6A3KDM4EMAPTHPGD |
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-2010086101-A1 | ALKYLAMINE-SUBSTITUTED DICYANOPYRIDINE AND AMINO ACID ESTER PRODRUGS THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-08-05 | — | — | WO | disclosed |