Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 9/20 | 0.47 |
| ▸ | CES1 | P23141 | 8/20 | 0.47 |
| ▸ | CES2 | O00748 | 5/20 | 0.47 |
| ▸ | PLA2G6 | O60733 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.33 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | PRKCG | P05129 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28007489 | 0.93 | CES1 (0.47) | FAAHCES1CES2PLA2G6THRB | |
| SCHEMBL13303050 | 0.82 | CES1 (0.42) | FAAHCES1CES2PLA2G6THRB | |
| SCHEMBL20355840 | 0.82 | CES1 (0.31) | CES1 | |
| SCHEMBL23014941 | 0.79 | FAAH (0.41) | FAAHCES1CES2PLA2G6THRB | |
| SCHEMBL226036 | 0.79 | CES2 (0.52) | FAAHCES1CES2PLA2G6THRB | |
| SCHEMBL576316 | 0.79 | — | — | |
| Dioctylsulfane SCHEMBL27962435 | 0.76 | CES2 (0.52) | FAAHCES1CES2PLA2G6THRB | |
| SCHEMBL199156 | 0.76 | THRB (0.57) | FAAHCES1CES2PLA2G6THRB | |
| SCHEMBL201749 | 0.76 | THRB (0.57) | FAAHCES1CES2PLA2G6THRB | |
| SCHEMBL24370114 | 0.76 | THRB (0.57) | FAAHCES1CES2PLA2G6THRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-103080080-B | 6,7-dihydro-5H-benzo [7] takes turns ene derivative, its preparation method, the pharmaceutical preparation comprising it and its purposes for the preparation of medicine | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-08-26 | — | — | CN | disclosed |