Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.60 |
| ▸ | MPO | P05164 | 1/20 | 0.57 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.52 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.52 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.52 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.52 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.52 |
| ▸ | KCNK10 | P57789 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CTSV | O60911 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL10614768 | 0.97 | GRIK1 (0.58) | GRIK1MPOPDK1PDK2PDK3 | |
| SCHEMBL14574207 | 0.86 | MAPT (0.55) | GRIK1MPOPDK1PDK2PDK3 | |
| SCHEMBL18784583 | 0.85 | PDK1 (0.57) | PDK1PDK2PDK3PDK4KCNK2 | |
| SCHEMBL9178137 | 0.84 | L3MBTL1 (0.53) | GRIK1MPOPDK1PDK2PDK3 | |
| SCHEMBL2090148 | 0.82 | ALDH1A1 (0.69) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL7299760 | 0.82 | MEN1 (0.59) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL1817100 | 0.81 | PDK1 (0.76) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL3251744 | 0.81 | KMT2A (0.62) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL10542066 | 0.81 | ALDH1A1 (0.55) | GRIK1MPOALDH1A1MAPTCYP3A4 | |
| SCHEMBL5156571 | 0.81 | SMN1; SMN2 (0.67) | GRIK1MPOALDH1A1MAPTCYP3A4 |
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 11 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 |
| EP-0468683-B1 | Fungicidal acylamidobenzamides | ZENECA LTD (GB) | 1995-06-14 | — | — | EP | disclosed |
| EP-0317645-B1 | 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS AND SERINE PROTEASE-INHIBITING MEDICINAL COMPOSITION CONTAINING SAME | TEIJIN LIMITED (JP) | 1993-09-15 | — | — | EP | disclosed |
| CN-1058392-A | Mycocide | ICI PLC (GB) | 1992-02-05 | — | — | CN | disclosed |
| EP-0468683-A1 | Fungicidal acylamidobenzamides | ZENECA LIMITED (GB) | 1992-01-29 | — | — | EP | disclosed |
| US-4980287-A | ANTIINFLAMMATORY AGENTS; INHIBITOR OF DEGENERATION AND DESTRUCTION OF TISSUES | TEIJIN LIMITED (JP) | 1990-12-25 | — | — | US | disclosed |
| EP-0317645-A1 | 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS AND SERINE PROTEASE-INHIBITING MEDICINAL COMPOSITION CONTAINING SAME | TEIJIN LIMITED (JP) | 1989-05-31 | — | — | EP | disclosed |