Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.33 |
| ▸ | PDE4A | P27815 | 3/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28504362 | 0.91 | SLC6A4 (0.34) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL2469196 | 0.75 | PDE4A (0.40) | PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL3549018 | 0.74 | MAOB (0.40) | PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL21979 | 0.73 | HRH1 (0.44) | NPSR1MEN1LMNAKMT2APDE4D | |
| SCHEMBL6377367 | 0.73 | ALDH1A1 (0.39) | MEN1LMNAKMT2AHTTSMN1; SMN2 | |
| SCHEMBL2469198 | 0.71 | PDE4A (0.40) | PDE4DPDE4APDE4BPDE4CMCHR1 | |
| SCHEMBL3542722 | 0.71 | KDM4E (0.44) | NPSR1LMNAKMT2ASMN1; SMN2HPGD | |
| SCHEMBL19139364 | 0.71 | SLC6A4 (0.59) | CSNK2A1PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL2921894 | 0.69 | PDE9A (0.36) | PDE4DPDE4APDE4BPDE4CMCHR1 | |
| SCHEMBL436786 | 0.69 | NPSR1 (0.33) | NPSR1MEN1LMNAKMT2AGLA |
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-2603513-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2013-06-19 | — | — | EP | disclosed |
| WO-2012020848-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-02-16 | — | — | WO | disclosed |