Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 4/20 | 0.49 |
| ▸ | CNR2 | P34972 | 8/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 3/20 | 0.37 |
| ▸ | CASP1 | P29466 | 3/20 | 0.37 |
| ▸ | CASP7 | P55210 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL3817679 | 1.00 | CNR1 (0.49) | CNR1CNR2NPC1RAB9ATDP1 | |
| SCHEMBL4014812 | 0.87 | CNR1 (0.54) | CNR1CNR2NPC1RAB9ATDP1 | |
| SCHEMBL4009905 | 0.87 | CNR1 (0.54) | CNR1CNR2NPC1RAB9ATDP1 | |
| SCHEMBL4012883 | 0.87 | CNR1 (0.54) | CNR1CNR2NPC1RAB9ATDP1 | |
| SCHEMBL3820971 | 0.83 | CNR1 (0.51) | CNR1CNR2MAPK1 | |
| SCHEMBL3812006 | 0.83 | CNR1 (0.49) | CNR1CNR2NPSR1MAPT | |
| SCHEMBL3822661 | 0.82 | CNR1 (0.47) | CNR1CNR2 | |
| SCHEMBL3821995 | 0.79 | CNR1 (0.51) | CNR1CNR2 | |
| SCHEMBL3924497 | 0.78 | CNR2 (0.44) | CNR1CNR2TSHR | |
| SCHEMBL3819129 | 0.76 | CNR1 (0.49) | CNR1CNR2 |
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-2035394-B1 | 2-PYRAZINECARBOXAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2009-08-19 | — | — | EP | claimed |