Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 3/20 | 0.54 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.45 |
| ▸ | PNMT | P11086 | 2/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.44 |
| ▸ | WNT1 | P04628 | 1/20 | 0.44 |
| ▸ | CLK2 | P49760 | 1/20 | 0.44 |
| ▸ | CLK3 | P49761 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL1014888 | 0.85 | MELK (0.56) | MELKSLC2A1PNMT | |
| SCHEMBL1029100 | 0.81 | MELK (0.57) | MELKSLC2A1PNMTITGB3ITGA2B | |
| SCHEMBL29903194 | 0.81 | MELK (0.57) | MELKSLC2A1PNMTITGB3ITGA2B | |
| SCHEMBL31174274 | 0.80 | F2 (0.53) | MELKSLC2A1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL31174276 | 0.80 | F2 (0.53) | MELKSLC2A1ALDH1A1MAPTSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL1077606 | 0.77 | MELK (0.51) | MELKSLC2A1PNMTITGB3ITGA2B | |
| SCHEMBL3248558 | 0.77 | MELK (0.56) | MELKSLC2A1NPC1MAPTRAB9A | |
| SCHEMBL308122 | 0.77 | MELK (0.52) | MELKSLC2A1PNMT | |
| SCHEMBL30745003 | 0.77 | MELK (0.52) | MELKSLC2A1PNMT | |
| SCHEMBL29589725 | 0.76 | ALDH1A1 (0.59) | MELKALDH1A1MAPTPNMT |
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-2274283-A1 | NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS | 4SC AG (DE) | 2011-01-19 | — | — | EP | disclosed |
| WO-2009112550-A1 | NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS | 4SC AG (DE) | 2009-09-17 | — | — | WO | disclosed |