Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 9/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.41 |
| ▸ | YES1 | P07947 | 3/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11065170 | 0.85 | ADORA2B (0.47) | ADORA2BADORA2AADORA1ADORA3ABL1 | |
| SCHEMBL11069532 | 0.77 | SMN1; SMN2 (0.51) | ADORA2BADORA2AADORA1ADORA3PDGFRA | |
| SCHEMBL11695830 | 0.77 | ATM (0.63) | MAPK1YES1AURKBNTRK1ABL1 | |
| Hydrochloric Acid SCHEMBL11700933 | 0.76 | ATM (0.62) | MAPK1YES1AURKBNTRK1ABL1 | |
| SCHEMBL11073683 | 0.75 | WNT3A (0.50) | MAPK1YES1AURKBNTRK1ABL1 | |
| SCHEMBL11701249 | 0.75 | ABCG2 (0.47) | ADORA2AADORA1ADORA3MAPK1YES1 | |
| SCHEMBL11069601 | 0.73 | ABL1 (0.44) | ADORA2BADORA2AADORA1ADORA3MAPK1 | |
| SCHEMBL11697032 | 0.73 | ATM (0.58) | MAPK1YES1AURKBNTRK1ABL1 | |
| SCHEMBL11063569 | 0.71 | PDE3B (0.42) | ADORA2BADORA2AADORA1ADORA3AURKB | |
| SCHEMBL22648398 | 0.71 | MDM2 (0.67) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4448780-A | N-(Lower-alkyl)-N'-[5-(pyridinyl)-2-pyridinyl]ureas and cardiotonic use thereof | STERLING DRUG INC. (US) | 1984-05-15 | — | — | US | disclosed |