Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9563720 | 0.95 | PRSS1 (0.36) | ALDH1A1KDM4ECTSLCTSSCTSK | |
| SCHEMBL9563765 | 0.92 | PPARA (0.36) | CTSLCTSSCTSKPPARACYP17A1 | |
| SCHEMBL9563919 | 0.91 | CYSLTR2 (0.36) | CTSLCTSSCTSKPPARACYP17A1 | |
| SCHEMBL9563795 | 0.91 | CYSLTR2 (0.36) | CTSLCTSSCTSKPPARACYP17A1 | |
| SCHEMBL9563873 | 0.90 | CYSLTR2 (0.36) | CTSLCTSSCTSKPPARAHSD11B1 | |
| SCHEMBL9563819 | 0.90 | CYSLTR2 (0.36) | CTSLCTSSCTSKPPARAHSD11B1 | |
| SCHEMBL9563920 | 0.90 | CYSLTR2 (0.36) | CTSLCTSSCTSKPPARAHSD11B1 | |
| SCHEMBL9496996 | 0.85 | HSD11B1 (0.43) | CTSLCTSSCTSKMEN1MAPT | |
| SCHEMBL9563984 | 0.85 | CTSL (0.35) | CTSLCTSSCTSKMEN1KMT2A | |
| SCHEMBL9563762 | 0.84 | ALOX5AP (0.34) | CTSLCTSSCTSKMEN1MAPT |
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-5273680-A | A chiral tilted smectic liquid crystal based on terphenyls | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-12-28 | — | — | US | disclosed |