Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP7 | P09237 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27512854 | 0.80 | CYP3A4 (0.42) | OPRD1ALDH1A1CYP3A4SLC6A4SLC6A2 | |
| SCHEMBL4047557 | 0.75 | ALDH1A1 (0.38) | ALDH1A1CYP3A4 | |
| SCHEMBL4047562 | 0.75 | ALDH1A1 (0.38) | ALDH1A1CYP3A4 | |
| SCHEMBL27585299 | 0.73 | LMNA (0.46) | OPRD1ALDH1A1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL27486159 | 0.73 | OPRD1 (0.44) | OPRD1ALDH1A1SLC6A4SLC6A3SMYD3 | |
| SCHEMBL29277061 | 0.73 | OPRD1 (0.44) | OPRD1ALDH1A1SLC6A4SLC6A3CCR8 | |
| SCHEMBL27269213 | 0.73 | SLC6A4 (0.42) | OPRD1SLC6A4SLC6A2SLC6A3SIGMAR1 | |
| SCHEMBL10712783 | 0.71 | ALDH1A1 (0.51) | ALDH1A1CYP3A4 | |
| SCHEMBL7232624 | 0.71 | OPRD1 (0.48) | OPRD1SLC6A4SLC6A2SLC6A3SMYD3 | |
| SCHEMBL458925 | 0.70 | CPN1 (0.34) | ALDH1A1CYP3A4MMP1MMP2MMP3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |