Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | ELAVL1 | Q15717 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
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 | 0.89 | ADORA1 (0.57) | ALDH1A1ADORA1ADORA2AADORA2BKDM4E | |
| SCHEMBL13913892 | 0.85 | ALDH1A1 (0.80) | ALDH1A1ADORA1ADORA2AADORA2BKDM4E | |
| SCHEMBL4307597 | 0.85 | ADORA1 (0.71) | ALDH1A1ADORA1ADORA2AADORA2BKDM4E | |
| SCHEMBL13913902 | 0.84 | ALDH1A1 (0.60) | ALDH1A1ADORA1ADORA2AADORA2BKDM4E | |
| SCHEMBL13913701 | 0.84 | KDM4E (0.65) | ALDH1A1ADORA1ADORA2AKDM4EMAPT | |
| SCHEMBL13913519 | 0.84 | ADORA1 (0.69) | ALDH1A1ADORA1ADORA2AADORA2BKDM4E | |
| SCHEMBL13913773 | 0.84 | ADORA1 (0.71) | ALDH1A1ADORA1ADORA2AKDM4EMAPT | |
| SCHEMBL13913903 | 0.84 | ADORA1 (0.64) | ALDH1A1ADORA1ADORA2AADORA2BKDM4E | |
| SCHEMBL13914393 | 0.84 | ADORA2B (0.74) | ALDH1A1ADORA1ADORA2AADORA2BKDM4E | |
| SCHEMBL13913906 | 0.84 | ADORA2B (0.74) | ALDH1A1ADORA1ADORA2AADORA2BKDM4E |
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 |