Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.56 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 7/20 | 0.47 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.46 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.46 |
| ▸ | ACLY | P53396 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2403082 | 0.87 | MEN1 (0.57) | GRIK1PDK1PDK2PDK3PDK4 | |
| SCHEMBL9743950 | 0.82 | GRIK1 (0.56) | GRIK1CLCN2MEN1KMT2AGAA | |
| SCHEMBL6314811 | 0.81 | GAA (0.51) | PDK1PDK2PDK3PDK4MEN1 | |
| SCHEMBL9507318 | 0.81 | ALDH1A1 (0.47) | GRIK1MEN1KMT2ATP53SMN1; SMN2 | |
| SCHEMBL14515393 | 0.80 | ALDH1A1 (0.52) | PDK1PDK2PDK3PDK4MEN1 | |
| SCHEMBL8549209 | 0.80 | KCNMA1 (0.56) | PDK1PDK2PDK3PDK4MEN1 | |
| SCHEMBL6891543 | 0.80 | KMT2A (0.55) | GRIK1PLK1PLK3CLCN2ACLY | |
| SCHEMBL5209585 | 0.79 | KDM4E (0.63) | PDK1PDK2PDK3PDK4KMT2A | |
| SCHEMBL25236842 | 0.79 | PDK1 (0.49) | PDK1PDK2PDK3PDK4TP53 | |
| SCHEMBL22164080 | 0.79 | PDK1 (0.49) | PDK1PDK2PDK3PDK4MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1084329-C | Benzyl piepridine derivs as pharmaceutical agents | HOFFMANN LA ROCHE (CH) | 2002-05-08 | — | — | CN | disclosed |
| EP-0871613-A1 | BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1998-10-21 | — | — | EP | disclosed |
| CN-1183768-A | Benzyl piepridine derivs as pharmaceutical agents | HOFFMANN LA ROCHE (CH) | 1998-06-03 | — | — | CN | disclosed |
| US-5753679-A | SCIZOPHRENIA | HOFFMANN-LA ROCHE INC. (US) | 1998-05-19 | — | — | US | disclosed |
| WO-1996035666-A1 | BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 1996-11-14 | — | — | WO | disclosed |