Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 10/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20336185 | 0.93 | NPC1 (0.34) | CNR2NPC1RAB9AIKBKBCHRM1 | |
| SCHEMBL20336152 | 0.89 | CNR2 (0.34) | CNR2CHRM1CHRM2CHRM4CHRM5 | |
| SCHEMBL20336181 | 0.89 | CNR2 (0.33) | CNR2NPC1RAB9AIKBKBCHRM1 | |
| SCHEMBL325802 | 0.88 | TTK (0.34) | NPC1RAB9A | |
| SCHEMBL3757227 | 0.86 | ORAI1 (0.33) | MAPK14 | |
| SCHEMBL20336183 | 0.86 | — | — | |
| SCHEMBL14726009 | 0.84 | TTK (0.34) | NPC1RAB9A | |
| SCHEMBL14721762 | 0.83 | CNR2 (0.35) | CNR2NPC1RAB9ACHRM1CHRM2 | |
| SCHEMBL15965601 | 0.83 | CNR2 (0.35) | CNR2NPC1RAB9ACHRM1CHRM2 | |
| SCHEMBL14721759 | 0.83 | CNR2 (0.35) | CNR2NPC1RAB9ACHRM1CHRM2 |
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-2748154-B1 | PROCESS FOR THE PREPARATION OF THIETANE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2018-07-04 | — | — | EP | disclosed |