Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 6/20 | 0.41 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL3888346 | 0.89 | PIK3CA (0.43) | PIK3CALRRK2MTORMAPTPIK3CB | |
| SCHEMBL3880640 | 0.88 | TRPV1 (0.44) | PIK3CALRRK2MTORPIK3CBPIK3CG | |
| SCHEMBL3875350 | 0.88 | PIK3CA (0.41) | PIK3CAGRM1PIK3CDPIK3R1MTOR | |
| SCHEMBL3884304 | 0.88 | PIK3CA (0.41) | PIK3CAGRM1PIK3CDPIK3R1MTOR | |
| SCHEMBL3877309 | 0.88 | CYP1A2 (0.49) | PIK3CAMTORALDH1A1MAPT | |
| SCHEMBL3880046 | 0.87 | GRM1 (0.40) | PIK3CAGRM1PIK3CDPIK3R1MTOR | |
| SCHEMBL3878243 | 0.87 | GRM1 (0.40) | PIK3CAGRM1LRRK2PIK3CDPIK3R1 | |
| SCHEMBL3888361 | 0.86 | TRPV1 (0.44) | PIK3CALRRK2PIK3R1 | |
| SCHEMBL3880667 | 0.86 | MTOR (0.44) | PIK3CAGRM1PIK3CDMTORALDH1A1 | |
| SCHEMBL3878569 | 0.86 | PIK3CD (0.42) | PIK3CAGRM1PIK3CDPIK3R1MTOR |
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 |