Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | STAT3 | P40763 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.44 |
| ▸ | ADAM17 | P78536 | 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 | |
|---|---|---|---|---|
| SCHEMBL1124170 | 0.87 | SMN1; SMN2 (0.62) | SMN1; SMN2MAPTLMNAMAPK1KMT2A | |
| SCHEMBL2336965 | 0.86 | HDAC3 (0.57) | SMN1; SMN2MAPTLMNAMAPK1KMT2A | |
| SCHEMBL2336968 | 0.86 | HDAC3 (0.57) | SMN1; SMN2MAPTLMNAMAPK1KMT2A | |
| SCHEMBL1124113 | 0.78 | PARP1 (0.54) | MAPTAOC3ALDH1A1PARP1 | |
| SCHEMBL1124201 | 0.76 | SMN1; SMN2 (0.52) | SMN1; SMN2MAPTSTAT3LMNAAOC3 | |
| SCHEMBL1124207 | 0.76 | SMN1; SMN2 (0.52) | SMN1; SMN2MAPTSTAT3LMNAAOC3 | |
| SCHEMBL2374519 | 0.73 | NOS3 (0.46) | SMN1; SMN2MAPTSTAT3KMT2AAOC3 | |
| SCHEMBL2374512 | 0.73 | NOS3 (0.46) | SMN1; SMN2MAPTSTAT3KMT2AAOC3 | |
| SCHEMBL2374516 | 0.73 | NOS3 (0.46) | SMN1; SMN2MAPTSTAT3KMT2AAOC3 | |
| SCHEMBL14303030 | 0.73 | ALDH1A1 (0.40) | SMN1; SMN2MAPTLMNAMAPK1KMT2A |
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 |