Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 8/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 3/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL300757 | 0.92 | LIPE (0.49) | LIPENPC1HTTCNR1 | |
| SCHEMBL176622 | 0.85 | NPC1 (0.46) | NPC1HTTCNR1CNR2 | |
| SCHEMBL176623 | 0.85 | NPC1 (0.46) | NPC1HTTCNR1CNR2 | |
| SCHEMBL300543 | 0.79 | MAPK1 (0.35) | NPC1HTTCNR1CNR2 | |
| SCHEMBL300665 | 0.79 | MAPK1 (0.35) | NPC1HTTCNR1CNR2 | |
| SCHEMBL300525 | 0.78 | CNR1 (0.46) | CNR1CNR2 | |
| SCHEMBL300660 | 0.78 | CNR1 (0.46) | CNR1CNR2 | |
| SCHEMBL176863 | 0.78 | NPC1 (0.43) | NPC1HTTAKR1C3AKR1C1 | |
| SCHEMBL176864 | 0.78 | NPC1 (0.43) | NPC1HTTAKR1C3AKR1C1 | |
| SCHEMBL176669 | 0.77 | SMN1; SMN2 (0.46) | LIPENPC1HTTCNR1AKR1C3 |
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-1937259-B1 | HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-11-23 | — | — | EP | claimed |