Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 9/20 | 0.34 |
| ▸ | CNR1 | P21554 | 7/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | FASN | P49327 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL5794471 | 1.00 | SOAT1 (0.38) | SOAT1CNR2CNR1CES2CES1 | |
| Hydrochloric Acid SCHEMBL28843054 | 0.98 | SOAT1 (0.37) | SOAT1CNR2CNR1CES2CES1 | |
| SCHEMBL11533285 | 0.84 | — | — | |
| SCHEMBL11533281 | 0.84 | — | — | |
| SCHEMBL28002547 | 0.82 | SOAT1 (0.40) | SOAT1CNR2CNR1TRPA1TRPV1 | |
| SCHEMBL2833573 | 0.82 | CES2 (0.32) | CES2CES1FASNFFAR3HDAC3 | |
| SCHEMBL3080818 | 0.82 | CES2 (0.32) | CES2CES1FASNFFAR3HDAC3 | |
| SCHEMBL2833574 | 0.82 | CES2 (0.32) | CES2CES1FASNFFAR3HDAC3 | |
| SCHEMBL17940485 | 0.82 | CES2 (0.32) | CES2CES1FASNFFAR3HDAC3 | |
| SCHEMBL13021369 | 0.82 | CES2 (0.32) | CES2CES1FASNFFAR3HDAC3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118324762-A | Compounds and compositions for treating CNS disorders | 布鲁奥科制药有限公司 | 2024-07-12 | — | — | CN | disclosed |
| EP-4084797-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS | Blue Oak Pharmaceuticals, Inc. (US) | 2022-11-09 | — | — | EP | disclosed |
| CN-114929235-A | Compounds and compositions for treating CNS disorders | 布鲁奥科制药有限公司 | 2022-08-19 | — | — | CN | disclosed |
| EP-2350021-A1 | BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010046855-A1 | BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-29 | — | — | WO | disclosed |
| EP-1648872-A2 | ARYL FUSED AZAPOLYCYCLIC COMPOUNDS | Pfizer Products Inc. (US) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005007630-A2 | ARYL FUSED AZAPOLYCYCLIC COMPOUNDS | PFIZER PRODUCTS INC. (US) | 2005-01-27 | — | — | WO | disclosed |