Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 10/20 | 0.43 |
| ▸ | GALR2 | O43603 | 4/20 | 0.42 |
| ▸ | GALR1 | P47211 | 4/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3944861 | 0.91 | HSD11B1 (0.47) | HSD11B1GALR2GALR1TRPA1 | |
| SCHEMBL14614132 | 0.90 | GALR2 (0.42) | HSD11B1GALR2GALR1 | |
| SCHEMBL3880284 | 0.88 | HSD11B1 (0.44) | HSD11B1GALR2GALR1TRPA1 | |
| SCHEMBL3880207 | 0.87 | GALR2 (0.51) | HSD11B1GALR2GALR1 | |
| SCHEMBL3880010 | 0.86 | GALR2 (0.47) | HSD11B1GALR2GALR1 | |
| SCHEMBL3877834 | 0.85 | GALR2 (0.55) | HSD11B1GALR2GALR1 | |
| SCHEMBL3885408 | 0.85 | GALR2 (0.55) | HSD11B1GALR2GALR1 | |
| SCHEMBL3876390 | 0.85 | GALR2 (0.46) | HSD11B1GALR2GALR1 | |
| SCHEMBL3884097 | 0.84 | GALR2 (0.44) | HSD11B1GALR2GALR1 | |
| SCHEMBL3876607 | 0.84 | GALR2 (0.56) | HSD11B1GALR2GALR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7566712-B2 | Biaryl piperazinyl-pyridine analogues | NEUROGEN CORPORATION (US) | 2009-07-28 | — | — | US | disclosed |
| US-7566712-B2 | Biaryl piperazinyl-pyridine analogues | NEUROGEN CORPORATION (US) | 2009-07-28 | — | — | US | disclosed |
| US-7566712-B2 | Biaryl piperazinyl-pyridine analogues | NEUROGEN CORPORATION (US) | 2009-07-28 | — | — | US | disclosed |