Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | STAT3 | P40763 | 1/20 | 0.52 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.43 |
| ▸ | FPR1 | P21462 | 1/20 | 0.41 |
| ▸ | FPR2 | P25090 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL1124207 | 1.00 | SMN1; SMN2 (0.52) | SMN1; SMN2MAPTSTAT3AOC3KDM4E | |
| SCHEMBL1124174 | 0.87 | AOC3 (0.50) | SMN1; SMN2MAPTAOC3KDM4ELMNA | |
| SCHEMBL1124168 | 0.87 | AOC3 (0.50) | SMN1; SMN2MAPTAOC3KDM4ELMNA | |
| SCHEMBL2338224 | 0.86 | AKR1C3 (0.50) | SMN1; SMN2MAPTLMNAHIF1AEPAS1 | |
| SCHEMBL2338228 | 0.86 | AKR1C3 (0.50) | SMN1; SMN2MAPTLMNAHIF1AEPAS1 | |
| SCHEMBL1124204 | 0.76 | SMN1; SMN2 (0.53) | SMN1; SMN2MAPTSTAT3AOC3LMNA | |
| SCHEMBL1124111 | 0.75 | AOC3 (0.60) | SMN1; SMN2MAPTAOC3KDM4ELMNA | |
| SCHEMBL23683819 | 0.72 | AOC3 (0.62) | SMN1; SMN2MAPTAOC3KDM4ELMNA | |
| SCHEMBL30475671 | 0.72 | AOC3 (0.62) | SMN1; SMN2MAPTAOC3KDM4ELMNA | |
| SCHEMBL29959269 | 0.72 | MAPT (0.62) | SMN1; SMN2MAPTSTAT3AOC3KDM4E |
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-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | claimed |
| EP-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | disclosed |