Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | RET | P07949 | 1/20 | 0.45 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3556602 | 0.83 | ADORA2B (0.68) | MAPTNPSR1RXFP1ADORA1ADORA2B | |
| SCHEMBL245593 | 0.81 | ADORA1 (0.64) | MAPTNPSR1RXFP1ADORA1ADORA2B | |
| SCHEMBL13938147 | 0.80 | ADORA1 (0.62) | MAPTNPSR1RXFP1ADORA1ADORA2B | |
| SCHEMBL244863 | 0.78 | ADORA1 (0.61) | MAPTNPSR1RXFP1ADORA1ADORA2A | |
| SCHEMBL3333404 | 0.77 | MAPT (0.81) | MAPTNPSR1RXFP1ADORA1ADORA2B | |
| SCHEMBL15286658 | 0.75 | ADORA1 (0.64) | MAPTNPSR1RXFP1ADORA1ADORA2B | |
| SCHEMBL4034485 | 0.74 | MAPT (0.63) | MAPTNPSR1RXFP1ADORA1ADORA2B | |
| SCHEMBL28185531 | 0.74 | KDM4E (0.73) | MAPTNPSR1RXFP1ADORA1ADORA2B | |
| SCHEMBL241556 | 0.74 | MAPT (0.59) | MAPTNPSR1RXFP1ADORA1ADORA2B | |
| SCHEMBL6462984 | 0.74 | MAPT (0.59) | MAPTNPSR1RXFP1ADORA1ADORA2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1417173-B1 | SUBSTITUTED 2-THIO-3, 5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS | BAYER HEALTHCARE AG (DE) | 2007-09-26 | — | — | EP | disclosed |