Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 15/20 | 0.65 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.65 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.47 |
| ▸ | RET | P07949 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.44 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.44 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL12943301 | 0.85 | ADORA1 (0.73) | ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL8006531 | 0.85 | ALDH1A1 (0.54) | ADORA1ADORA2AADORA3ADORA2BRET | |
| SCHEMBL924532 | 0.83 | ADORA1 (0.73) | ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL8010345 | 0.83 | ADORA1 (0.73) | ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL12943299 | 0.83 | ADORA1 (0.73) | ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL923839 | 0.83 | ADORA1 (0.73) | ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL923841 | 0.83 | ADORA1 (0.73) | ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL7997209 | 0.83 | ADORA1 (0.62) | ADORA1ADORA3ADORA2B | |
| SCHEMBL31378324 | 0.82 | ADORA1 (0.69) | ADORA1ADORA2AADORA3ADORA2BRET | |
| SCHEMBL8006647 | 0.81 | ADORA1 (0.64) | ADORA1RET |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009100827-A1 | CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-08-20 | — | — | WO | disclosed |