Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 15/20 | 0.55 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | HTR1B | P28222 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13914093 | 0.88 | ADORA1 (0.57) | ADORA1SIRT1ADORA2BADORA2AADORA3 | |
| SCHEMBL13913718 | 0.87 | KDM4E (0.60) | ADORA1ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL13913547 | 0.87 | ADORA1 (0.71) | ADORA1SIRT1ADORA2BADORA2AADORA3 | |
| SCHEMBL13913789 | 0.86 | ADORA1 (0.71) | ADORA1ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL13913630 | 0.86 | ADORA1 (0.71) | ADORA1ALDH1A1KDM4EMEN1HPGD | |
| SCHEMBL13913689 | 0.85 | ADORA1 (0.70) | ADORA1ADORA2BADORA2AADORA3ALDH1A1 | |
| SCHEMBL13914092 | 0.84 | ADORA1 (0.74) | ADORA1ADORA2BADORA3 | |
| SCHEMBL13913825 | 0.83 | ADORA1 (0.52) | ADORA1ADORA2BADORA2AADORA3ALDH1A1 | |
| SCHEMBL13914096 | 0.83 | ADORA1 (0.65) | ADORA1SIRT1ADORA2BALDH1A1KDM4E | |
| SCHEMBL13913860 | 0.81 | ADORA1 (0.55) | ADORA1ADORA2AALDH1A1KDM4EMEN1 |
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 |