Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.37 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.36 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31448456 | 0.80 | MCHR1 (0.40) | PDE4APDE4BPDE4CPDE4DCARM1 | |
| SCHEMBL31448546 | 0.79 | MCHR1 (0.42) | PDE4APDE4BPDE4CPDE4DCARM1 | |
| SCHEMBL28331538 | 0.79 | PDE4D (0.50) | PDE4APDE4BPDE4CPDE4DCARM1 | |
| SCHEMBL13696497 | 0.78 | SLC6A2 (0.49) | EPHX2HRH1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7701922 | 0.74 | SLC6A2 (0.49) | PDE4APDE4BPDE4CPDE4DEPHX2 | |
| SCHEMBL29952646 | 0.74 | TLR2 (0.39) | EPHX2HRH1MCHR1KAT2BBAZ2B | |
| SCHEMBL15057752 | 0.74 | MRGPRX1 (0.43) | PDE4APDE4BPDE4CPDE4DHRH1 | |
| SCHEMBL11586746 | 0.74 | MCHR1 (0.46) | PDE4APDE4BPDE4CPDE4DCARM1 | |
| SCHEMBL10525480 | 0.73 | SLC6A2 (0.47) | EPHX2CARM1PRMT1MCHR1SLC6A2 | |
| SCHEMBL1006539 | 0.73 | CYP1A2 (0.45) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018069863-A1 | 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-04-19 | — | — | WO | disclosed |