Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 4/20 | 0.37 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7210575 | 1.00 | LSS (0.37) | LSSAVPR1BCYP2D6KDM4EPOLB | |
| SCHEMBL7205511 | 0.96 | AVPR1B (0.37) | LSSAVPR1BCYP2D6KDM4EPOLB | |
| SCHEMBL7210488 | 0.89 | AVPR1B (0.34) | AVPR1BCYP2D6KDM4EPOLBKDM5A | |
| SCHEMBL7209634 | 0.83 | LSS (0.48) | LSSAVPR1BCYP2D6KDM5AKDM4C | |
| SCHEMBL7208695 | 0.82 | LSS (0.43) | LSSAVPR1BCYP2D6KDM5AKDM4C | |
| SCHEMBL7204665 | 0.78 | LSS (0.44) | LSSKDM5AKDM4CCHRM2CHRM4 | |
| SCHEMBL7204663 | 0.78 | LSS (0.44) | LSSKDM5AKDM4CCHRM2CHRM4 | |
| SCHEMBL7205514 | 0.74 | LSS (0.43) | LSSCYP2D6CHRM2CHRM4CHRM1 | |
| SCHEMBL7205517 | 0.74 | LSS (0.43) | LSSCYP2D6CHRM2CHRM4CHRM1 | |
| SCHEMBL7206188 | 0.72 | ALDH1A1 (0.40) | LSSLMNAALDH1A1 |
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-1311475-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002014267-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-21 | — | — | WO | disclosed |