Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | LSS | P48449 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 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 | |
|---|---|---|---|---|
| SCHEMBL7204010 | 1.00 | SIGMAR1 (0.42) | SIGMAR1LTA4HL3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL4806887 | 0.92 | SIGMAR1 (0.42) | SIGMAR1LTA4HL3MBTL1CCR5LSS | |
| SCHEMBL4806879 | 0.92 | SIGMAR1 (0.42) | SIGMAR1LTA4HL3MBTL1CCR5LSS | |
| SCHEMBL4805748 | 0.91 | SIGMAR1 (0.41) | SIGMAR1LTA4HL3MBTL1CCR5LSS | |
| SCHEMBL4805756 | 0.91 | SIGMAR1 (0.41) | SIGMAR1LTA4HL3MBTL1CCR5LSS | |
| SCHEMBL7210228 | 0.90 | CCR5 (0.44) | LTA4HL3MBTL1ALDH1A1CYP3A4TSHR | |
| SCHEMBL7210226 | 0.90 | CCR5 (0.44) | LTA4HL3MBTL1ALDH1A1CYP3A4TSHR | |
| SCHEMBL4804412 | 0.90 | SIGMAR1 (0.45) | SIGMAR1L3MBTL1CCR5LSSCHRM5 | |
| SCHEMBL4804405 | 0.90 | SIGMAR1 (0.45) | SIGMAR1L3MBTL1CCR5LSSCHRM5 | |
| SCHEMBL7206805 | 0.89 | HTR2A (0.41) | LTA4HL3MBTL1ALDH1A1CYP3A4TSHR |
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 |