Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.57 |
| ▸ | JAK3 | P52333 | 2/20 | 0.55 |
| ▸ | JAK1 | P23458 | 1/20 | 0.55 |
| ▸ | TGM2 | P21980 | 1/20 | 0.54 |
| ▸ | NCF1 | P14598 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CHKA | P35790 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | HTR2B | P41595 | 2/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124148 | 0.84 | TGM2 (0.55) | KMT2AJAK3JAK1TGM2GAA | |
| SCHEMBL4102507 | 0.82 | KMT2A (0.66) | KMT2AACE2NCF1GAAL3MBTL1 | |
| SCHEMBL20807435 | 0.81 | KMT2A (0.61) | KMT2AACE2NCF1GAAL3MBTL1 | |
| SCHEMBL23173027 | 0.81 | KMT2A (0.61) | KMT2AACE2NCF1GAAL3MBTL1 | |
| SCHEMBL23174025 | 0.80 | KMT2A (0.60) | KMT2AACE2JAK3NCF1GAA | |
| SCHEMBL22169661 | 0.79 | KMT2A (0.58) | KMT2AACE2NCF1GAAL3MBTL1 | |
| SCHEMBL10361955 | 0.78 | JAK3 (0.61) | KMT2AJAK3JAK1TGM2GAA | |
| SCHEMBL732934 | 0.78 | TGM2 (0.81) | KMT2ATGM2MEN1ALDH1A1 | |
| SCHEMBL4487502 | 0.76 | KMT2A (0.58) | KMT2AACE2NCF1GAAL3MBTL1 | |
| SCHEMBL21392900 | 0.75 | ACHE (0.46) | JAK3JAK1L3MBTL1JAK2 |
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 |