Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.73 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.56 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.43 |
| ▸ | TK1 | P04183 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8464512 | 1.00 | CYP1A2 (0.73) | CYP1A2CYP2D6MAPK1ADORA2AADCY1 | |
| SCHEMBL8464098 | 0.99 | CYP1A2 (0.75) | CYP1A2CYP2D6MAPK1ADORA2AADCY1 | |
| SCHEMBL14203129 | 0.87 | CYP1A2 (0.75) | CYP1A2CYP2D6MAPK1ADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL8466597 | 0.85 | CYP1A2 (0.71) | CYP1A2CYP2D6MAPK1ADORA2AADORA1 | |
| SCHEMBL8467315 | 0.80 | TK1 (0.52) | CYP1A2CYP2D6MAPK1ADORA2AADCY1 | |
| SCHEMBL10362340 | 0.80 | ADORA2A (0.61) | CYP1A2CYP2D6MAPK1ADORA2AADCY1 | |
| SCHEMBL14924510 | 0.80 | CYP1A2 (0.82) | CYP1A2CYP2D6MAPK1ADORA2AADORA1 | |
| SCHEMBL5015543 | 0.80 | CYP1A2 (0.82) | CYP1A2CYP2D6MAPK1ADORA2AADORA1 | |
| SCHEMBL8464071 | 0.78 | ADORA2A (0.60) | CYP1A2CYP2D6MAPK1ADORA2AADCY1 | |
| SCHEMBL8467138 | 0.78 | ADORA2A (0.60) | CYP1A2CYP2D6MAPK1ADORA2AADCY1 |
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-5994361-A | ANTITUMOR, ANTICANCER AGENT | BIOCHEM PHARMA (CA) | 1999-11-30 | — | — | US | claimed |