Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.45 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | RAF1 | P04049 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3877309 | 0.91 | CYP1A2 (0.49) | CTSSCTSKCTSLCTSBCYP1A2 | |
| SCHEMBL3876620 | 0.90 | CYP1A2 (0.47) | CTSSCTSKCTSLCTSBCYP1A2 | |
| SCHEMBL14614059 | 0.89 | CTSS (0.49) | CTSSCTSKCTSLCTSBCYP1A2 | |
| SCHEMBL3885616 | 0.89 | CYP1A2 (0.48) | CYP1A2CYP2C9MAPK1CYP2C19HSD17B10 | |
| SCHEMBL3884913 | 0.89 | CYP1A2 (0.46) | CTSSCTSKCTSLCTSBCYP1A2 | |
| SCHEMBL3884304 | 0.87 | PIK3CA (0.41) | PIK3CAPIK3CDGRM1 | |
| SCHEMBL3878243 | 0.86 | GRM1 (0.40) | PIK3CAALDH1A1MAPTPIK3CDGRM1 | |
| SCHEMBL3885487 | 0.85 | PIK3CA (0.41) | PIK3CAALDH1A1MAPTPIK3CDGRM1 | |
| SCHEMBL3875350 | 0.85 | PIK3CA (0.41) | PIK3CAALDH1A1MAPTPIK3CDGRM1 | |
| SCHEMBL3878569 | 0.85 | PIK3CD (0.42) | CTSSCTSKCTSLL3MBTL1PIK3CA |
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 |