Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 14/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13914030 | 0.96 | ALDH1A1 (0.53) | ALDH1A1KDM4ENPSR1LMNAHPGD | |
| SCHEMBL13913926 | 0.91 | KDM4E (0.58) | ALDH1A1KDM4ENPSR1LMNAHPGD | |
| SCHEMBL13913857 | 0.91 | KDM4E (0.55) | ALDH1A1KDM4ENPSR1LMNAHPGD | |
| SCHEMBL13913994 | 0.90 | KDM4E (0.59) | ALDH1A1KDM4ENPSR1LMNAHPGD | |
| SCHEMBL13914086 | 0.90 | ALDH1A1 (0.53) | ALDH1A1KDM4ENPSR1LMNAHPGD | |
| SCHEMBL13913912 | 0.89 | ADORA1 (0.53) | ALDH1A1KDM4ENPSR1LMNAHPGD | |
| SCHEMBL13914044 | 0.86 | ALDH1A1 (0.52) | ALDH1A1KDM4ENPSR1LMNAHPGD | |
| SCHEMBL13913974 | 0.85 | ADORA1 (0.55) | ALDH1A1KDM4ENPSR1HPGDHSD17B10 | |
| SCHEMBL13914066 | 0.85 | ADORA1 (0.70) | ADORA1ADORA2B | |
| SCHEMBL13914090 | 0.84 | ADORA1 (0.58) | ALDH1A1KDM4ENPSR1LMNAHPGD |
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 |