Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 8/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5777138 | 0.86 | HSD11B1 (0.39) | HTR6HSD11B1LDHATNKSLMNA | |
| SCHEMBL5775190 | 0.80 | GSK3B (0.35) | HSD11B1 | |
| SCHEMBL5776425 | 0.80 | HSD11B1 (0.39) | HSD11B1LMNATP53HTTNPSR1 | |
| SCHEMBL5778899 | 0.80 | THRB (0.38) | HSD11B1LDHATP53ALDH1A1KDM4E | |
| SCHEMBL5776022 | 0.79 | NPSR1 (0.41) | HSD11B1LMNATP53HTTNPSR1 | |
| SCHEMBL5773915 | 0.79 | HSD11B1 (0.43) | HSD11B1ALDH1A1KDM4EHCAR3HCAR2 | |
| SCHEMBL5778953 | 0.78 | ALDH1A1 (0.41) | HSD11B1LDHAALDH1A1KDM4EGAA | |
| SCHEMBL5777244 | 0.78 | P2RX7 (0.36) | HTR6HSD11B1 | |
| SCHEMBL5775030 | 0.77 | HTR6 (0.34) | HTR6HSD11B1ALDH1A1 | |
| SCHEMBL5775758 | 0.77 | HSD11B1 (0.38) | HSD11B1HCAR3HCAR2 |
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-1406888-B1 | SUBSTITUTED Y-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS | GRUENENTHAL GMBH (DE) | 2006-05-24 | — | — | EP | disclosed |