Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV6 | Q9H1D0 | 8/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.38 |
| ▸ | CCR2 | P41597 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | DRD4 | P21917 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 3/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14815076 | 1.00 | TRPV6 (0.43) | TRPV6KCNH2OPRK1ROCK1ROCK2 | |
| SCHEMBL14814859 | 0.83 | OPRK1 (0.44) | TRPV6KCNH2OPRK1ROCK1ROCK2 | |
| SCHEMBL14815061 | 0.83 | OPRK1 (0.44) | TRPV6KCNH2OPRK1ROCK1ROCK2 | |
| SCHEMBL16689987 | 0.82 | KDM4E (0.40) | DRD4 | |
| SCHEMBL15462454 | 0.81 | POLB (0.43) | KCNH2OPRK1 | |
| SCHEMBL14815961 | 0.81 | POLB (0.43) | KCNH2OPRK1 | |
| SCHEMBL20328287 | 0.78 | CNR2 (0.32) | — | |
| SCHEMBL14815350 | 0.76 | HRH3 (0.38) | KCNH2OPRK1 | |
| SCHEMBL14814818 | 0.76 | HRH3 (0.36) | KCNH2OPRK1 | |
| SCHEMBL21852637 | 0.75 | OPRM1 (0.47) | OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013049164-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS | ABBVIE INC. (US) | 2013-04-04 | — | — | WO | disclosed |