Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 9/20 | 0.41 |
| ▸ | TP53 | P04637 | 8/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8418311 | 0.83 | CYP1A2 (0.46) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| SCHEMBL8281358 | 0.80 | CYP2C9 (0.44) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| SCHEMBL8226298 | 0.79 | CYP1A2 (0.43) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| SCHEMBL2272084 | 0.77 | CYP1A2 (0.54) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| SCHEMBL7904001 | 0.73 | MAPT (0.64) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| SCHEMBL24799555 | 0.72 | RPS6KB1 (0.52) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| SCHEMBL2272752 | 0.72 | CYP2C19 (0.50) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| SCHEMBL2270503 | 0.72 | NPC1 (0.59) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| SCHEMBL12021773 | 0.72 | CA12 (0.48) | MAPTTP53POLB | |
| SCHEMBL12021892 | 0.72 | L3MBTL1 (0.57) | TP53RAB9AMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1934227-B1 | 2-HETEROARYL-PYRAZOLO-[4, 3-e]-1, 2, 4-TRIAZOLO-[1,5-c]-PYRIMIDINE AS ADENOSINE A2a RECEPTOR ANTAGONISTS | SCHERING CORP (US) | 2011-12-21 | — | — | EP | disclosed |