Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | POLA1 | P09884 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 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 | |
|---|---|---|---|---|
| SCHEMBL4445975 | 0.80 | OPRM1 (0.39) | HSD11B1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL31260304 | 0.68 | ADRA2A (0.44) | POLA1CYP3A4ALDH1A1THRBMAPK1 | |
| SCHEMBL24403846 | 0.66 | DRD2 (0.46) | CYP3A4ALDH1A1THRBMAPK1GRIN2D | |
| SCHEMBL10066628 | 0.65 | CYP3A4 (0.66) | HSD11B1POLA1CYP3A4ALDH1A1THRB | |
| SCHEMBL19050255 | 0.64 | GRIN1 (0.45) | CYP3A4ALDH1A1THRBMAPK1GRIN2D | |
| SCHEMBL630847 | 0.63 | KDM4E (0.62) | ALDH1A1OPRM1HTR2AHTR2BKCNH2 | |
| SCHEMBL19050085 | 0.63 | DRD2 (0.46) | CYP3A4ALDH1A1THRBMAPK1OPRM1 | |
| SCHEMBL29051586 | 0.62 | SNCA (0.44) | CYP3A4ALDH1A1MAPK1CYP2D6SNCA | |
| SCHEMBL13638214 | 0.61 | SLC6A2 (0.39) | ALDH1A1SLC6A4SLC6A2KDM4ELMNA | |
| SCHEMBL8898116 | 0.61 | DRD2 (0.46) | ADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7476691-B2 | Sulfamate benzothiophene derivatives as steroid sulfatase inhibitors | LABORATOIRE THERAMEX (MC) | 2009-01-13 | — | — | US | disclosed |