Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 2/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.45 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.45 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 6/20 | 0.44 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.43 |
| ▸ | PI4KA | P42356 | 1/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.43 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.43 |
| ▸ | OTUD7B | Q6GQQ9 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31164675 | 0.80 | ASIC3 (0.55) | PDK1PDK2PDK3PDK4DRD2 | |
| SCHEMBL25156695 | 0.77 | CYP11B2 (0.46) | PDK1PDK2PDK3PDK4DRD2 | |
| SCHEMBL2374388 | 0.76 | PDK1 (0.46) | PDK1PDK2PDK3PDK4DRD2 | |
| SCHEMBL17809556 | 0.76 | PDK1 (0.57) | PDK1PDK2PDK3PDK4DRD2 | |
| SCHEMBL31164758 | 0.74 | ESR2 (0.61) | PDK1PDK2PDK3PDK4USP30 | |
| SCHEMBL7923625 | 0.74 | OTUD7B (0.41) | PDK1PDK2PDK3PDK4DRD2 | |
| SCHEMBL17806355 | 0.72 | PDK1 (0.53) | PDK1PDK2PDK3PDK4DRD2 | |
| SCHEMBL8030023 | 0.71 | MAOA (0.50) | DRD2HRH3DRD1DRD5DRD3 | |
| SCHEMBL1903425 | 0.71 | HTR2A (0.39) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL25551409 | 0.70 | PIK3CD (0.49) | PIK3CDPIK3CAPIK3CBPI4KAPIK3CG |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2363394-A1 | 8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its salts, solvates or hydrates and its use for the treatment of CNS disorders | Arena Pharmaceuticals, Inc. (US) | 2011-09-07 | — | — | EP | disclosed |