Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 3/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL27914058 | 0.91 | CYP3A4 (0.68) | CYP3A4CYP2D6SCN5ACHRM2SIGMAR1 | |
| SCHEMBL2447920 | 0.89 | CHRM2 (0.62) | CYP3A4CYP2D6SCN5ACHRM2CYP2C19 | |
| SCHEMBL23686873 | 0.86 | SCN5A (0.67) | CYP3A4CYP2D6SCN5ACHRM2CYP2C19 | |
| SCHEMBL12332531 | 0.84 | CHRM2 (0.66) | CYP3A4CYP2D6SCN5ACHRM2SIGMAR1 | |
| SCHEMBL5595495 | 0.83 | CYP3A4 (0.55) | CYP3A4CYP2D6CHRM2SIGMAR1CYP2C19 | |
| SCHEMBL3997594 | 0.82 | CYP2C19 (0.70) | CYP3A4CYP2D6SCN5ACHRM2SIGMAR1 | |
| SCHEMBL5595516 | 0.82 | CHRM2 (0.57) | CYP3A4CYP2D6CHRM2SIGMAR1CYP2C19 | |
| SCHEMBL5595311 | 0.80 | KCNJ1 (0.65) | CYP3A4CYP2D6CHRM2SIGMAR1KCNH2 | |
| SCHEMBL5754907 | 0.80 | SIGMAR1 (0.70) | CYP3A4CYP2D6SCN5ASIGMAR1SLC6A2 | |
| SCHEMBL7392786 | 0.79 | CHRM2 (0.58) | CYP3A4CYP2D6SCN5ACHRM2CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1809288-A1 | USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006051489-A1 | USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2006-05-18 | — | — | WO | disclosed |