Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 9/20 | 0.38 |
| ▸ | PPARG | P37231 | 3/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.37 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17768753 | 0.87 | CNR1 (0.49) | CNR1CNR2MEN1CYP1A2CYP2D6 | |
| SCHEMBL17778279 | 0.86 | CNR1 (0.46) | CNR1CNR2MEN1CYP1A2CYP2D6 | |
| SCHEMBL17778078 | 0.84 | CNR1 (0.47) | CNR1CNR2MEN1CYP1A2CYP2D6 | |
| SCHEMBL12629799 | 0.73 | CNR1 (0.57) | CNR1CNR2MEN1CYP1A2CYP2D6 | |
| SCHEMBL17768739 | 0.72 | CNR1 (0.48) | CNR1CNR2MEN1CYP1A2CYP2D6 | |
| SCHEMBL17769156 | 0.72 | CNR1 (0.48) | CNR1CNR2MEN1CYP1A2CYP2D6 | |
| SCHEMBL22552131 | 0.71 | ADORA2A (0.51) | MEN1HPGDKMT2AADORA2AADORA1 | |
| SCHEMBL17768901 | 0.71 | CNR1 (0.46) | CNR1CNR2ADORA2AADORA1EPHX2 | |
| SCHEMBL29907526 | 0.71 | ADORA2A (0.51) | MEN1HPGDKMT2AADORA2AADORA1 | |
| SCHEMBL17768668 | 0.71 | CNR1 (0.49) | CNR1CNR2MEN1CYP1A2CYP2D6 |
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-2016081290-A1 | AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME CORP. (US) | 2016-05-26 | — | — | WO | disclosed |