Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4171985 | 0.92 | ADORA2B (0.43) | MAPTADORA2BADORA2ATP53TSHR | |
| SCHEMBL4167578 | 0.92 | MAPT (0.40) | MAPTADORA2BADORA2ATP53TSHR | |
| SCHEMBL4182286 | 0.91 | MAPT (0.40) | MAPTADORA2BADORA2ATP53TSHR | |
| SCHEMBL4179743 | 0.88 | TSHR (0.43) | ADORA2BADORA2ATP53TSHRALDH1A1 | |
| SCHEMBL4167581 | 0.86 | ADORA1 (0.44) | MAPTADORA2BADORA2ATP53TSHR | |
| SCHEMBL4171960 | 0.85 | ADORA2B (0.40) | MAPTADORA2BADORA2ATP53TSHR | |
| SCHEMBL4169858 | 0.85 | ADORA2A (0.37) | MAPTADORA2BADORA2ATP53TSHR | |
| SCHEMBL4186030 | 0.85 | ADORA2A (0.36) | MAPTADORA2BADORA2ATP53TSHR | |
| SCHEMBL4179311 | 0.85 | ADORA2A (0.36) | MAPTADORA2BADORA2ATP53TSHR | |
| SCHEMBL4182201 | 0.83 | MAPT (0.38) | MAPTADORA2BADORA2ATP53TSHR |
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-1636230-A2 | A1 ADENOSINE RECEPTOR ANTAGONISTS | Endacea, Inc. (US) | 2006-03-22 | — | — | EP | disclosed |
| WO-2004110379-A2 | A1 ADENOSINE RECEPTOR ANTAGONISTS | ENDACEA, INC. (US) | 2004-12-23 | — | — | WO | disclosed |