Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 9/20 | 0.71 |
| ▸ | PDE5A | O76074 | 1/20 | 0.70 |
| ▸ | PDE1A | P54750 | 1/20 | 0.70 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.70 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | HTT | P42858 | 1/20 | 0.68 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL13913605 | 0.91 | ADORA1 (0.71) | ADORA1PDE5APDE1APDE1BPDE1C | |
| SCHEMBL13913517 | 0.89 | ALDH1A1 (0.76) | ADORA1PDE5APDE1APDE1BPDE1C | |
| SCHEMBL13913624 | 0.88 | RET (0.73) | ADORA1PDE5APDE1APDE1BPDE1C | |
| SCHEMBL13913614 | 0.86 | ALDH1A1 (0.82) | ADORA1PDE5APDE1APDE1BPDE1C | |
| SCHEMBL13913621 | 0.86 | ALDH1A1 (0.66) | ADORA1PDE5APDE1APDE1BPDE1C | |
| SCHEMBL13913680 | 0.85 | PDE5A (0.73) | ADORA1PDE5APDE1APDE1BPDE1C | |
| SCHEMBL13913533 | 0.85 | SIRT1 (0.76) | ADORA1PDE5APDE1APDE1BPDE1C | |
| SCHEMBL13913710 | 0.85 | RET (0.73) | ADORA1PDE5APDE1APDE1BPDE1C | |
| SCHEMBL13913634 | 0.83 | ALDH1A1 (0.69) | ADORA1PDE5APDE1APDE1BPDE1C | |
| SCHEMBL13913604 | 0.83 | ADORA1 (1.00) | ADORA1HTTADORA2BADORA3KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |