Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 5/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.40 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.40 |
| ▸ | CSNK1G3 | Q9Y6M4 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5054303 | 0.88 | ADORA2B (0.42) | ADORA2BADORA1ADORA3ADORA2APLK4 | |
| SCHEMBL239675 | 0.78 | ADORA2B (0.46) | ADORA2BADORA1ADORA3ADORA2APLK4 | |
| SCHEMBL244147 | 0.77 | ADORA2B (0.55) | ADORA2BADORA1ADORA3ADORA2APLK4 | |
| SCHEMBL5597238 | 0.71 | ADORA3 (0.44) | ADORA2BADORA1ADORA3ADORA2ASMN1; SMN2 | |
| SCHEMBL1546107 | 0.70 | ADORA2B (0.54) | ADORA2BADORA1ADORA3ADORA2APLK4 | |
| SCHEMBL3466169 | 0.67 | ADORA2B (0.65) | ADORA2BADORA1ADORA3ADORA2APLK4 | |
| SCHEMBL1546710 | 0.67 | ADORA2B (0.57) | ADORA2BADORA1ADORA3ADORA2APLK4 | |
| SCHEMBL1546132 | 0.66 | ADORA2B (0.51) | ADORA2BADORA1ADORA3ADORA2APLK4 | |
| SCHEMBL28870440 | 0.66 | MPO (0.49) | — | |
| SCHEMBL8979367 | 0.65 | ADORA2A (0.51) | ADORA2BADORA1ADORA3ADORA2APLK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1685132-A1 | A sb 2B /sb ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005051951-A1 | A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2005-06-09 | — | — | WO | disclosed |