Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.37 |
| ▸ | RET | P07949 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7554989 | 0.77 | CES1 (0.50) | CES1CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL22810220 | 0.74 | CES1 (0.46) | CES1CYP17A1CYP19A1CYP11B1CYP11B2 | |
| Dihydrophenanthrene SCHEMBL30297028 | 0.72 | CES1 (0.68) | CES1CYP19A1CYP11B1CYP11B2SETD7 | |
| Dihydrophenanthrene SCHEMBL29404495 | 0.72 | CES1 (0.68) | CES1CYP19A1CYP11B1CYP11B2SETD7 | |
| Dihydrophenanthrene SCHEMBL155991 | 0.72 | CES1 (0.68) | CES1CYP19A1CYP11B1CYP11B2SETD7 | |
| SCHEMBL2185230 | 0.72 | CES1 (0.54) | CES1CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL9257523 | 0.71 | CYP17A1 (0.46) | CES1CYP17A1CYP19A1CYP11B1CYP11B2 | |
| Dihydrophenanthrene SCHEMBL28876918 | 0.70 | CES1 (0.65) | CES1CYP19A1CYP11B2SETD7NOS3 | |
| Dihydrophenanthrene SCHEMBL28858771 | 0.70 | CES1 (0.65) | CES1CYP19A1CYP11B1CYP11B2SETD7 | |
| SCHEMBL30436624 | 0.70 | CES1 (0.65) | CES1CYP19A1CYP11B1CYP11B2SETD7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009111449-A1 | 1,2,4-TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE AND PYRAZOLO [4,3-E] -1,2,4-TRIAZOLO [4,3-C] PYRIMIDIN-3-ONE COMPOUNDS FOR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS | SCHERING CORPORATION (US) | 2009-09-11 | — | — | WO | disclosed |