Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | GALR2 | O43603 | 2/20 | 0.44 |
| ▸ | GALR1 | P47211 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | PHGDH | O43175 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
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 | 0.93 | GAA (0.47) | GAAHSD11B1GALR2GALR1ALDH1A1 | |
| SCHEMBL3885210 | 0.91 | GAA (0.46) | GAAHSD11B1GALR2GALR1ALDH1A1 | |
| SCHEMBL3880682 | 0.90 | HSD11B1 (0.46) | GAAHSD11B1ALDH1A1TRPA1TRPV1 | |
| SCHEMBL14614138 | 0.90 | GAA (0.45) | GAAHSD11B1GALR2GALR1ALDH1A1 | |
| SCHEMBL3877797 | 0.85 | GALR2 (0.46) | HSD11B1GALR2GALR1TRPA1 | |
| SCHEMBL3880973 | 0.84 | GALR2 (0.44) | GAAGALR2GALR1PHGDHTRPV1 | |
| SCHEMBL3878072 | 0.84 | GALR2 (0.59) | GALR2GALR1TRPV1 | |
| SCHEMBL3881411 | 0.84 | TRPV1 (0.45) | GALR2GALR1TRPV1 | |
| SCHEMBL3877905 | 0.83 | GALR2 (0.48) | HSD11B1GALR2GALR1PHGDH | |
| SCHEMBL3888381 | 0.83 | GALR2 (0.61) | GALR2GALR1TRPV1 |
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 |