Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 14/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15417974 | 0.93 | PDE4B (0.38) | PDE10AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL12683789 | 0.83 | ALDH1A1 (0.39) | PDE10AMAPTHPGDPDE4BALDH1A1 | |
| SCHEMBL12683814 | 0.83 | EGFR (0.37) | PDE10AMAPTHPGDPDE4BALDH1A1 | |
| SCHEMBL16704934 | 0.83 | CTSD (0.38) | PDE10AHTTMAPTHPGDPDE4B | |
| SCHEMBL17919124 | 0.81 | CTSD (0.36) | PDE10AHTTMAPTHPGDPDE4B | |
| SCHEMBL16689944 | 0.79 | PDE10A (0.37) | PDE10APDE4BALDH1A1MEN1KMT2A | |
| SCHEMBL9981160 | 0.78 | PDE10A (0.43) | PDE10AHTTPDE4BPDE4AMEN1 | |
| SCHEMBL1701334 | 0.78 | PDE10A (0.47) | PDE10AHTTMAPTHPGDPDE4B | |
| SCHEMBL9981615 | 0.77 | PDE10A (0.44) | PDE10AHTTPDE4BPDE4A | |
| SCHEMBL9981385 | 0.76 | PDE10A (0.46) | PDE10AHTTMAPTHPGDPDE4B |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2687529-B1 | CONDENSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2016-07-13 | — | — | EP | disclosed |
| EP-2687529-B1 | CONDENSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2016-07-13 | — | — | EP | disclosed |
| US-9029388-B2 | Condensed heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-12 | — | — | US | disclosed |
| US-9029388-B2 | Condensed heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-12 | — | — | US | disclosed |
| US-9029388-B2 | Condensed heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-12 | — | — | US | disclosed |
| EP-2687529-A1 | CONDENSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2014-01-22 | — | — | EP | disclosed |
| EP-2687529-A1 | CONDENSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2014-01-22 | — | — | EP | disclosed |