Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 4/20 | 0.40 |
| ▸ | CNR2 | P34972 | 4/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.31 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.31 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9891491 | 0.80 | CNR1 (0.39) | CNR1CNR2NPC1RAB9AALDH1A1 | |
| SCHEMBL1012596 | 0.80 | CNR2 (0.39) | CNR1CNR2MAPK13MAPK12MAPK11 | |
| SCHEMBL14723926 | 0.79 | CNR1 (0.41) | CNR1CNR2NPC1RAB9AALDH1A1 | |
| SCHEMBL9892809 | 0.79 | CNR1 (0.39) | CNR1CNR2MAPK13MAPK12MAPK11 | |
| SCHEMBL10104256 | 0.79 | MAPK14 (0.38) | CNR2CHRM2CHRM4CHRM5CHRM3 | |
| SCHEMBL9947014 | 0.77 | CNR2 (0.39) | CNR1CNR2TRPM8NPC1RAB9A | |
| SCHEMBL26457324 | 0.76 | TRPM8 (0.33) | CHRM2CHRM4CHRM5CHRM3TRPM8 | |
| SCHEMBL20320493 | 0.75 | HSD17B10 (0.40) | CNR2CHRM2CHRM4CHRM5CHRM3 | |
| SCHEMBL427051 | 0.73 | ALDH1A1 (0.43) | TRPM8NPC1RAB9AALDH1A1EGFR | |
| SCHEMBL26456157 | 0.73 | CHRM2 (0.32) | CNR2CHRM2CHRM4CHRM5CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| US-8383615-B2 | Azetidine 2-carboxamide derivatives which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-02-26 | — | — | US | disclosed |