Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.49 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.49 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | GGT1 | P19440 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10615619 | 0.90 | PTGS2 (0.55) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL11589528 | 0.89 | PTGS2 (0.55) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL16065424 | 0.85 | PPARG (0.59) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL2791448 | 0.85 | PTGS2 (0.52) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL4032384 | 0.84 | PTGS2 (0.54) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL8467353 | 0.84 | PTGS2 (0.54) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL5420876 | 0.82 | ALDH1A1 (0.54) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL12569393 | 0.82 | TAAR1 (0.59) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL11600678 | 0.82 | PTGS2 (0.49) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL6535108 | 0.82 | PTGS2 (0.49) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107573360-A | A kind of Mutiple Targets micromolecular compound S63845 preparation method | 都创(上海)医药科技有限公司 | 2018-01-12 | — | — | CN | claimed |
| CN-107573360-A | A kind of Mutiple Targets micromolecular compound S63845 preparation method | 都创(上海)医药科技有限公司 | 2018-01-12 | — | — | CN | disclosed |
| CN-104725397-A | Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them | SERVIER LAB | 2015-06-24 | — | — | CN | disclosed |
| EP-2348859-B1 | PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS | MERCK SHARP & DOHME (US) | 2013-12-04 | — | — | EP | disclosed |
| EP-2348859-A1 | PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010039474-A1 | PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-04-08 | — | — | WO | disclosed |