Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | STAT6 | P42226 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CMA1 | P23946 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1061992 | 0.90 | CYP1A2 (0.44) | HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1061892 | 0.88 | SMN1; SMN2 (0.43) | HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12962917 | 0.87 | NPC1 (0.45) | HSD17B10ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10314612 | 0.86 | HSD17B10 (0.38) | HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1061255 | 0.82 | KMT2A (0.44) | HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27836564 | 0.81 | ALDH1A1 (0.41) | HSD17B10ALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL10314575 | 0.78 | SMN1; SMN2 (0.42) | HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1062395 | 0.77 | KDM4E (0.51) | HSD17B10ALDH1A1NPC1LMNASMN1; SMN2 | |
| SCHEMBL1062302 | 0.75 | SMN1; SMN2 (0.53) | ALDH1A1NPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL1057744 | 0.73 | MEN1 (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102015705-B | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL | 2013-11-13 | — | — | CN | disclosed |
| CN-102015705-A | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL | 2011-04-13 | — | — | CN | disclosed |
| EP-2247588-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009107850-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-03 | — | — | WO | disclosed |