Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | PDE4A | P27815 | 7/20 | 0.53 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | VEGFA | P15692 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL481990 | 1.00 | TSHR (0.57) | TSHRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL15778957 | 0.81 | PKM (0.40) | TSHRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL15778955 | 0.81 | PKM (0.40) | TSHRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10200945 | 0.81 | TSHR (0.57) | TSHRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL22831445 | 0.81 | TSHR (0.57) | TSHRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL560686 | 0.81 | TSHR (0.57) | TSHRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL18590504 | 0.81 | TSHR (0.61) | TSHRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL20475320 | 0.81 | TSHR (0.57) | TSHRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL14544184 | 0.81 | TSHR (0.61) | TSHRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL1269697 | 0.81 | TSHR (0.57) | TSHRPDE4APDE4BPDE4CPDE4D |
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-2018092916-A1 | NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE | 宇部興産株式会社 | 2018-05-24 | — | — | WO | disclosed |