Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDX3X | O00571 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.44 |
| ▸ | ITGAV | P06756 | 1/20 | 0.44 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4569778 | 0.84 | MEN1 (0.53) | DDX3XMAPTTP53RAB9ANPC1 | |
| SCHEMBL174930 | 0.84 | RAB9A (0.52) | MAPTTP53RAB9ANPC1KDR | |
| SCHEMBL175199 | 0.83 | HTT (0.51) | MAPTRAB9ANPC1ALDH1A1GAA | |
| SCHEMBL173758 | 0.83 | SMN1; SMN2 (0.53) | MAPTRAB9ANPC1POLBALDH1A1 | |
| SCHEMBL174986 | 0.82 | KMT2A (0.52) | DDX3XMAPTRAB9ANPC1KDR | |
| SCHEMBL175017 | 0.81 | GAA (0.56) | L3MBTL1ALDH1A1GAAALOX15HSD17B10 | |
| SCHEMBL257377 | 0.81 | GAA (0.45) | MAPTRAB9ANPC1POLBL3MBTL1 | |
| Hydrochloric Acid SCHEMBL174066 | 0.81 | KMT2A (0.51) | DDX3XMAPTRAB9ANPC1KDR | |
| SCHEMBL173797 | 0.80 | MEN1 (0.54) | RAB9ANPC1POLBALDH1A1MEN1 | |
| SCHEMBL174936 | 0.78 | MEN1 (0.51) | MAPTTP53RAB9ANPC1POLB |
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-2611806-A1 | DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Ascepion Pharmaceuticals, Inc. (CN) | 2013-07-10 | — | — | EP | claimed |
| WO-2012028106-A1 | DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ASCEPION PHARMACEUTICALS, INC. (CN) | 2012-03-08 | — | — | WO | claimed |
| EP-2611806-A1 | DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Ascepion Pharmaceuticals, Inc. (CN) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012028106-A1 | DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ASCEPION PHARMACEUTICALS, INC. (CN) | 2012-03-08 | — | — | WO | disclosed |