Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 8/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | RBP4 | P02753 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3876557 | 0.92 | GAA (0.47) | HSD11B1TRPA1TRPV1GAARBP4 | |
| SCHEMBL3887718 | 0.90 | GAA (0.46) | HSD11B1TRPA1TRPV1GAAALDH1A1 | |
| SCHEMBL3885210 | 0.90 | GAA (0.46) | HSD11B1TRPA1TRPV1GAARBP4 | |
| SCHEMBL14614138 | 0.90 | GAA (0.45) | HSD11B1TRPA1TRPV1GAARBP4 | |
| SCHEMBL3878643 | 0.86 | TRPA1 (0.43) | HSD11B1TRPA1TRPV1GAARBP4 | |
| SCHEMBL3879411 | 0.86 | TRPA1 (0.47) | HSD11B1TRPA1TRPV1GAARBP4 | |
| SCHEMBL3877152 | 0.86 | HSD11B1 (0.47) | HSD11B1 | |
| SCHEMBL3875989 | 0.86 | HSD11B1 (0.48) | HSD11B1TRPA1TRPV1 | |
| SCHEMBL3880207 | 0.85 | GALR2 (0.51) | HSD11B1TRPV1 | |
| SCHEMBL3877637 | 0.85 | HSD11B1 (0.46) | HSD11B1GAARBP4 |
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 |