Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 7/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124204 | 0.87 | SMN1; SMN2 (0.53) | SMN1; SMN2MAPTLMNAKMT2AMAPK1 | |
| SCHEMBL1124113 | 0.80 | PARP1 (0.54) | KDM4EMAPTCYP1A2CYP2C19CYP11B1 | |
| SCHEMBL3784304 | 0.74 | ALDH1A1 (0.49) | SMN1; SMN2KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL3784306 | 0.74 | ALDH1A1 (0.49) | SMN1; SMN2KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL1124168 | 0.74 | AOC3 (0.50) | SMN1; SMN2KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL1124174 | 0.74 | AOC3 (0.50) | SMN1; SMN2KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL29551688 | 0.74 | PIM2 (0.54) | SMN1; SMN2KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL3786488 | 0.74 | PIM2 (0.54) | SMN1; SMN2KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL3786486 | 0.74 | PIM2 (0.54) | SMN1; SMN2KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL14303030 | 0.74 | ALDH1A1 (0.40) | SMN1; SMN2KDM4EMAPTLMNAKMT2A |
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 |