Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 9/20 | 0.37 |
| ▸ | MALT1 | Q9UDY8 | 2/20 | 0.37 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | KHK | P50053 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL3878041 | 0.93 | MALT1 (0.44) | TRPV1MALT1DYRK1AMAP3K12CHRM4 | |
| SCHEMBL3878956 | 0.93 | MALT1 (0.38) | TRPV1MALT1SLC9A1DYRK1AMAP3K12 | |
| SCHEMBL3880930 | 0.92 | TRPV1 (0.38) | TRPV1DYRK1AMAP3K12CHRM4KHK | |
| SCHEMBL3878587 | 0.92 | GRM5 (0.41) | TRPV1DYRK1AMAP3K12KHK | |
| SCHEMBL14613908 | 0.90 | MAP3K12 (0.39) | TRPV1DYRK1AMAP3K12KHKPARP1 | |
| SCHEMBL3879062 | 0.90 | TRPV1 (0.43) | TRPV1MALT1DYRK1ACHRM4 | |
| SCHEMBL3877824 | 0.89 | MALT1 (0.41) | MALT1DYRK1AMAP3K12CHRM4KHK | |
| SCHEMBL3879378 | 0.89 | TRPV1 (0.47) | TRPV1 | |
| SCHEMBL13761444 | 0.88 | MALT1 (0.47) | MALT1PARP1 | |
| SCHEMBL3879480 | 0.88 | SYK (0.42) | TRPV1DYRK1AMAP3K12KHKPARP1 |
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 |