Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 5/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.38 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | HTR6 | P50406 | 3/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5065682 | 0.88 | HRH3 (0.49) | HRH3KCNH2HTR7USP30CCR1 | |
| SCHEMBL5088018 | 0.84 | HRH3 (0.42) | HRH3KCNH2HTR7USP30CCR1 | |
| SCHEMBL4806286 | 0.81 | HTR2A (0.52) | HRH3HTR7HTR1ADRD2ALDH1A1 | |
| SCHEMBL4806291 | 0.81 | HTR2A (0.52) | HRH3HTR7HTR1ADRD2ALDH1A1 | |
| SCHEMBL4806191 | 0.80 | HTR2A (0.53) | HRH3HTR7HTR1ADRD2ALDH1A1 | |
| SCHEMBL4806187 | 0.80 | HTR2A (0.53) | HRH3HTR7HTR1ADRD2ALDH1A1 | |
| SCHEMBL4799025 | 0.78 | HTR2A (0.53) | HRH3HTR7HTR1ADRD2ALDH1A1 | |
| SCHEMBL4799028 | 0.78 | HTR2A (0.53) | HRH3HTR7HTR1ADRD2ALDH1A1 | |
| SCHEMBL7204735 | 0.77 | CA1 (0.43) | TGFBR1GBA1HPGDHTTALDH1A1 | |
| SCHEMBL7211522 | 0.77 | USP30 (0.44) | USP30TGFBR1MGLLGBA1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1311475-B1 | AMINOCYCLOHEXANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-08-06 | — | — | EP | disclosed |