Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 13/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 13/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4664227 | 0.96 | EPHX2 (0.38) | EPHX2HSD11B1KDM5AKDM4CALDH1A1 | |
| SCHEMBL2595556 | 0.91 | EPHX2 (0.47) | EPHX2HSD11B1ALDH1A1HPGD | |
| SCHEMBL4664222 | 0.87 | EPHX2 (0.44) | EPHX2HSD11B1ALDH1A1HPGD | |
| SCHEMBL1078190 | 0.80 | EPHX2 (0.34) | EPHX2HSD11B1ALDH1A1HPGD | |
| SCHEMBL1464875 | 0.72 | AKR1C3 (0.41) | ALDH1A1HPGD | |
| SCHEMBL7449807 | 0.72 | HSD11B1 (0.51) | EPHX2HSD11B1ALDH1A1HPGD | |
| SCHEMBL908982 | 0.72 | HSD11B1 (0.44) | EPHX2HSD11B1ALDH1A1 | |
| SCHEMBL17033076 | 0.72 | MAPT (0.39) | EPHX2ALDH1A1 | |
| SCHEMBL19459187 | 0.71 | HSD11B1 (0.45) | EPHX2HSD11B1ALDH1A1 | |
| SCHEMBL19462895 | 0.71 | HSD11B1 (0.45) | EPHX2HSD11B1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2563123-A1 | NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2013-03-06 | — | — | EP | disclosed |
| WO-2011137054-A1 | NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-11-03 | — | — | WO | disclosed |