Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 6/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.34 |
| ▸ | CCNC | P24863 | 2/20 | 0.34 |
| ▸ | CDK8 | P49336 | 2/20 | 0.34 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.33 |
| ▸ | GLRB | P48167 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL15652074 | 0.77 | HPGDS (0.46) | HPGDSBACE1LTA4HBACE2CDK8 | |
| SCHEMBL1356430 | 0.75 | PTGS2 (0.38) | CDK8 | |
| SCHEMBL31180051 | 0.75 | PTGS2 (0.38) | CDK8 | |
| SCHEMBL5611162 | 0.75 | LTA4H (0.50) | HPGDSLTA4HBRD4ADRB3HDAC4 | |
| SCHEMBL13354410 | 0.74 | HPGDS (0.42) | HPGDSBACE1LTA4HBACE2CCNC | |
| SCHEMBL13466616 | 0.74 | HPGDS (0.42) | HPGDSBACE1LTA4HBACE2CCNC | |
| Hydrochloric Acid SCHEMBL30555492 | 0.72 | HPGDS (0.41) | HPGDSBACE1LTA4HBACE2CCNC | |
| SCHEMBL13737200 | 0.70 | HPGDS (0.53) | HPGDSBACE1LTA4HBACE2CCNC | |
| SCHEMBL14752258 | 0.70 | HPGDS (0.39) | HPGDSBACE1LTA4HBACE2CCNC | |
| SCHEMBL19949791 | 0.70 | HPGDS (0.39) | HPGDSBACE1LTA4HBACE2CCNC |
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-1242426-B1 | GAMMA-HYDROXY-2-(FLUOROALKYLAMINOCARBONYL)-1-PIPERAZINEPENTANAMIDES AS HIV PROTEASE INHIBITORS | MERCK & CO INC (US) | 2007-10-31 | — | — | EP | disclosed |