Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 3/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7210420 | 1.00 | ALDH1A1 (0.52) | ALDH1A1GAATSHREPHX1ADORA2A | |
| SCHEMBL4804435 | 0.90 | ALDH1A1 (0.56) | ALDH1A1GAATSHREPHX1DPP4 | |
| SCHEMBL4804439 | 0.90 | ALDH1A1 (0.56) | ALDH1A1GAATSHREPHX1DPP4 | |
| SCHEMBL4803762 | 0.90 | ALDH1A1 (0.56) | ALDH1A1GAATSHREPHX1DPP4 | |
| SCHEMBL4803753 | 0.90 | ALDH1A1 (0.56) | ALDH1A1GAATSHREPHX1DPP4 | |
| SCHEMBL4805861 | 0.88 | LSS (0.50) | ALDH1A1GAATSHREPHX1DPP4 | |
| SCHEMBL4805864 | 0.88 | LSS (0.50) | ALDH1A1GAATSHREPHX1DPP4 | |
| SCHEMBL7204007 | 0.83 | SIGMAR1 (0.42) | ALDH1A1TSHRLTA4HCYP3A4MAPK1 | |
| SCHEMBL7204010 | 0.83 | SIGMAR1 (0.42) | ALDH1A1TSHRLTA4HCYP3A4MAPK1 | |
| SCHEMBL4806802 | 0.82 | ALDH1A1 (0.59) | ALDH1A1GAATSHREPHX1DPP4 |
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 |