Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5153335 | 0.82 | NPC1 (0.34) | HPGDS | |
| SCHEMBL13039952 | 0.82 | TSHR (0.35) | TSHRNPSR1 | |
| SCHEMBL14654913 | 0.82 | TSHR (0.35) | TSHRNPSR1 | |
| SCHEMBL17802205 | 0.81 | HPGDS (0.33) | HPGDS | |
| SCHEMBL19328330 | 0.81 | HPGDS (0.33) | HPGDS | |
| SCHEMBL26087002 | 0.81 | HPGDS (0.33) | HPGDS | |
| SCHEMBL9188420 | 0.81 | MEN1 (0.45) | TSHRNPSR1HPGDSCYP19A1 | |
| SCHEMBL16716052 | 0.78 | TSHR (0.33) | TSHRNPSR1 | |
| SCHEMBL24126282 | 0.78 | HCRTR2 (0.40) | HCRTR2 | |
| SCHEMBL24126896 | 0.78 | HPGDS (0.39) | HPGDS |
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 |