Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 11/20 | 0.41 |
| ▸ | 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 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 3/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17778279 | 0.89 | CNR1 (0.46) | CNR1CNR2ADORA2AADORA1EPHX2 | |
| SCHEMBL17778207 | 0.86 | ADORA2A (0.52) | ADORA2AADORA1EPHX2HSD17B13PPARG | |
| SCHEMBL17768668 | 0.85 | CNR1 (0.49) | CNR1CNR2ADORA2AADORA1EPHX2 | |
| SCHEMBL17778284 | 0.84 | CNR1 (0.47) | CNR1CNR2ADORA2AADORA1EPHX2 | |
| SCHEMBL17778206 | 0.83 | ADORA2A (0.48) | ADORA2AADORA1MEN1HPGDKMT2A | |
| SCHEMBL12629799 | 0.77 | CNR1 (0.57) | CNR1CNR2ADORA2AADORA1EPHX2 | |
| SCHEMBL17768739 | 0.76 | CNR1 (0.48) | CNR1CNR2ADORA2AADORA1EPHX2 | |
| SCHEMBL17778205 | 0.76 | ADORA2A (0.48) | ADORA2AADORA1 | |
| SCHEMBL17768692 | 0.74 | CNR1 (0.46) | CNR1CNR2ADORA2AADORA1EPHX2 | |
| SCHEMBL17768901 | 0.74 | CNR1 (0.46) | CNR1CNR2ADORA2AADORA1EPHX2 |
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 |