Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 3/20 | 0.40 |
| ▸ | TACR2 | P21452 | 2/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 10/20 | 0.39 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.35 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3634457 | 0.94 | HSD11B1 (0.40) | TACR3TACR2TACR1HSD11B1KCNT1 | |
| SCHEMBL3640571 | 0.94 | HSD11B1 (0.40) | TACR3TACR2TACR1HSD11B1KCNT1 | |
| SCHEMBL3637028 | 0.94 | HSD11B1 (0.40) | TACR3TACR2TACR1HSD11B1KCNT1 | |
| SCHEMBL3856742 | 0.83 | TACR3 (0.41) | TACR3TACR2TACR1HSD11B1PTGDR2 | |
| SCHEMBL3641700 | 0.83 | TACR3 (0.41) | TACR3TACR2TACR1HSD11B1PTGDR2 | |
| SCHEMBL3641309 | 0.83 | TACR3 (0.41) | TACR3TACR2TACR1HSD11B1PTGDR2 | |
| SCHEMBL3635512 | 0.81 | LMNA (0.42) | TACR3TACR2TACR1KCNH2CACNA1I | |
| SCHEMBL3639829 | 0.79 | TACR3 (0.45) | TACR3TACR2TACR1HSD11B1OPRK1 | |
| SCHEMBL3641680 | 0.79 | TACR3 (0.45) | TACR3TACR2TACR1HSD11B1OPRK1 | |
| SCHEMBL3856945 | 0.79 | TACR3 (0.45) | TACR3TACR2TACR1HSD11B1OPRK1 |
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-2008151969-A1 | PIPERAZINE AND [1,4] DIAZEPAN DERIVATIVES AS NK ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-18 | — | — | WO | disclosed |