Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 4/20 | 0.32 |
| ▸ | CA12 | O43570 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL338326 | 1.00 | CYP2D6 (0.35) | CYP2D6THRBHSD17B10TSHRALDH1A1 | |
| SCHEMBL338249 | 1.00 | CYP2D6 (0.35) | CYP2D6THRBHSD17B10TSHRALDH1A1 | |
| SCHEMBL12111905 | 0.88 | THRB (0.35) | CYP2D6THRBHSD17B10TSHRALDH1A1 | |
| SCHEMBL6973355 | 0.85 | CYP2D6 (0.33) | CYP2D6THRBHSD17B10TSHRALDH1A1 | |
| SCHEMBL29323317 | 0.85 | — | — | |
| SCHEMBL16027475 | 0.84 | HSD17B10 (0.43) | CYP2D6THRBHSD17B10TSHRALDH1A1 | |
| SCHEMBL12113422 | 0.83 | NR3C1 (0.36) | CYP2D6THRBHSD17B10TSHRALDH1A1 | |
| SCHEMBL16576324 | 0.83 | ALDH1A1 (0.45) | TSHRALDH1A1LMNAABCB1 | |
| SCHEMBL20557502 | 0.83 | ALDH1A1 (0.45) | TSHRALDH1A1LMNAABCB1 | |
| SCHEMBL16076914 | 0.82 | HSD17B10 (0.41) | CYP2D6THRBHSD17B10TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2561872-A1 | 3, 5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo [4,5-d]pyrimidin-2-one compounds and prodrugs thereof | Anadys Pharmaceuticals, Inc. (US) | 2013-02-27 | — | — | EP | disclosed |