Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 8/20 | 0.64 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.63 |
| ▸ | PDE5A | O76074 | 1/20 | 0.59 |
| ▸ | PDE1A | P54750 | 1/20 | 0.59 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.59 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.59 |
| ▸ | RET | P07949 | 7/20 | 0.59 |
| ▸ | ABL1 | P00519 | 2/20 | 0.59 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.56 |
| ▸ | ELAVL1 | Q15717 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL13925905 | 0.93 | ADORA1 (0.55) | ADORA1SIRT1PDE5APDE1APDE1B | |
| SCHEMBL13913589 | 0.91 | RET (0.70) | ADORA1SIRT1PDE5APDE1APDE1B | |
| SCHEMBL13913661 | 0.90 | RET (0.67) | ADORA1SIRT1PDE5APDE1APDE1B | |
| SCHEMBL13913680 | 0.89 | PDE5A (0.73) | ADORA1SIRT1PDE5APDE1APDE1B | |
| SCHEMBL13913533 | 0.88 | SIRT1 (0.76) | ADORA1SIRT1PDE5APDE1APDE1B | |
| SCHEMBL13913624 | 0.85 | RET (0.73) | ADORA1SIRT1PDE5APDE1APDE1B | |
| SCHEMBL13913584 | 0.85 | ADORA1 (0.72) | ADORA1SIRT1PDE5APDE1APDE1B | |
| SCHEMBL13913583 | 0.85 | ADORA1 (0.72) | ADORA1SIRT1PDE5APDE1APDE1B | |
| SCHEMBL13925962 | 0.84 | RET (0.61) | ADORA1SIRT1PDE5APDE1APDE1B | |
| SCHEMBL13913710 | 0.84 | RET (0.73) | ADORA1SIRT1PDE5APDE1APDE1B |
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 |
|---|---|---|---|---|---|---|---|
| US-7504421-B2 | Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-03-17 | — | — | US | disclosed |