Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | LSS | P48449 | 5/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | MLYCD | O95822 | 2/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.40 |
| ▸ | PPARD | Q03181 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7209252 | 0.89 | MAPK14 (0.41) | LSSMAPK14KDM4EMEN1ALDH1A1 | |
| SCHEMBL7211489 | 0.88 | NAAA (0.45) | TMEM97SIGMAR1HDAC6MAPK14HDAC4 | |
| SCHEMBL7209098 | 0.83 | MCHR1 (0.47) | LSSMCHR1 | |
| SCHEMBL7206161 | 0.83 | MCHR1 (0.47) | LSSMCHR1 | |
| SCHEMBL7209094 | 0.83 | MCHR1 (0.47) | LSSMCHR1 | |
| SCHEMBL7205051 | 0.82 | LSS (0.46) | LSSALDH1A1HPGDKMT2A | |
| SCHEMBL7203964 | 0.79 | USP30 (0.45) | LSS | |
| SCHEMBL7203967 | 0.79 | USP30 (0.45) | LSS | |
| SCHEMBL7209420 | 0.77 | LSS (0.58) | LSSMCHR1 | |
| SCHEMBL7209424 | 0.77 | LSS (0.58) | LSSMCHR1 |
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 |