Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 8/20 | 0.63 |
| ▸ | PDE5A | O76074 | 1/20 | 0.61 |
| ▸ | PDE1A | P54750 | 1/20 | 0.61 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.61 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.58 |
| ▸ | HTR1B | P28222 | 1/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.58 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.58 |
| ▸ | ABL1 | P00519 | 1/20 | 0.58 |
| ▸ | RET | P07949 | 1/20 | 0.58 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.58 |
| ▸ | PPARG | P37231 | 2/20 | 0.56 |
| ▸ | NCOA2 | Q15596 | 2/20 | 0.56 |
| ▸ | NCOA1 | Q15788 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL13914580 | 0.90 | NPSR1 (0.69) | ADORA1ALDH1A1MEN1KMT2AALOX15 | |
| SCHEMBL13914765 | 0.89 | ALDH1A1 (0.68) | ADORA1ALDH1A1MEN1KMT2AALOX15 | |
| SCHEMBL13914458 | 0.89 | RET (0.58) | ADORA1PDE5APDE1APDE1BPDE1C | |
| SCHEMBL13914820 | 0.87 | KDM4E (0.65) | ADORA1PDE5APDE1APDE1BPDE1C | |
| SCHEMBL13914646 | 0.86 | ALDH1A1 (0.71) | ADORA1ALDH1A1MEN1KMT2AALOX15 | |
| SCHEMBL13913671 | 0.85 | ADORA1 (0.71) | ADORA1PDE5APDE1APDE1BPDE1C | |
| SCHEMBL13914519 | 0.84 | ADORA1 (0.68) | ADORA1PDE5APDE1APDE1BPDE1C | |
| SCHEMBL13913678 | 0.83 | RET (0.80) | ADORA1PDE5APDE1APDE1BPDE1C | |
| SCHEMBL13914694 | 0.82 | ADORA1 (0.78) | ADORA1ALDH1A1MEN1KMT2AALOX15 | |
| SCHEMBL13914511 | 0.82 | ADORA1 (0.54) | ADORA1PDE5APDE1APDE1BPDE1C |
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 |