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 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL13261213 | 0.92 | ADORA1 (0.64) | ADORA1SLC6A3 | |
| Trifluoroacetic Acid SCHEMBL3724542 | 0.88 | ADORA1 (0.59) | ADORA1SLC6A3 | |
| SCHEMBL7901799 | 0.87 | ADORA1 (0.55) | ADORA1SLC6A3KDM4E | |
| SCHEMBL7648982 | 0.85 | ADORA1 (0.63) | ADORA1SLC6A3 | |
| SCHEMBL13227898 | 0.85 | ADORA1 (0.58) | ADORA1SLC6A3 | |
| SCHEMBL13944629 | 0.84 | ADORA1 (0.67) | ADORA1SLC6A3 | |
| Hydrochloric Acid SCHEMBL3706093 | 0.84 | ADORA1 (0.62) | ADORA1SLC6A3 | |
| SCHEMBL7903266 | 0.84 | ADORA1 (0.60) | ADORA1SLC6A3 | |
| SCHEMBL7905915 | 0.82 | ADORA1 (0.64) | ADORA1SLC6A3 | |
| SCHEMBL7647506 | 0.82 | ADORA1 (0.62) | ADORA1SLC6A3 |
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 |