Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | NAMPT | P43490 | 6/20 | 0.47 |
| ▸ | JAK3 | P52333 | 2/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.45 |
| ▸ | KLK1 | P06870 | 1/20 | 0.45 |
| ▸ | TGM2 | P21980 | 1/20 | 0.45 |
| ▸ | BTK | Q06187 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21393055 | 0.85 | SMN1; SMN2 (0.64) | NAMPTJAK2CYP1A2MAPTCYP2C19 | |
| SCHEMBL1124148 | 0.82 | TGM2 (0.55) | ALDH1A1JAK3JAK2JAK1KDM4E | |
| SCHEMBL1124170 | 0.80 | SMN1; SMN2 (0.62) | PARP1AOC3ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL2570320 | 0.78 | AOC3 (0.53) | PARP1AOC3ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL1124204 | 0.78 | SMN1; SMN2 (0.53) | PARP1AOC3ALDH1A1MAPT | |
| SCHEMBL10154089 | 0.76 | CYP11B1 (0.60) | PARP1AOC3ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL23683819 | 0.75 | AOC3 (0.62) | PARP1AOC3ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL30475671 | 0.75 | AOC3 (0.62) | PARP1AOC3ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL4647849 | 0.74 | ALDH1A1 (0.55) | PARP1AOC3ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL17221698 | 0.74 | CYP11B1 (0.57) | AOC3ALDH1A1CYP11B1CYP11B2KDM4E |
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 4 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 |
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | WO | claimed |
| EP-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | WO | disclosed |