Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL1132975 | 0.83 | CA12 (0.31) | ALDH1A1 | |
| SCHEMBL2364451 | 0.81 | — | — | |
| SCHEMBL559019 | 0.81 | PIN1 (0.33) | — | |
| SCHEMBL657409 | 0.81 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL1026856 | 0.79 | KDM4E (0.34) | — | |
| SCHEMBL4062047 | 0.79 | NTRK2 (0.34) | — | |
| SCHEMBL19379185 | 0.79 | PYCR1 (0.33) | ALDH1A1 | |
| SCHEMBL9995731 | 0.78 | HDAC3 (0.34) | — | |
| SCHEMBL9167715 | 0.78 | PRMT3 (0.34) | — | |
| SCHEMBL15017086 | 0.78 | ALOX5 (0.41) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |
| US-5843983-A | Diphenylethane compounds containing a saturated heterocyclic group, their preparation, and their therapeutic use | SANKYO COMPANY, LIMITED (JP) | 1998-12-01 | — | — | US | disclosed |
| US-5523407-A | ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS, FOR TREATING OR PREVENTING HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-06-04 | — | — | US | disclosed |
| US-5362742-A | Acyl CoA: cholesterol acyltransferase | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-11-08 | — | — | US | disclosed |
| EP-0505565-B1 | QUINOLINE DERIVATIVES, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1994-04-27 | — | — | EP | disclosed |
| EP-0505565-A1 | QUINOLINE DERIVATIVES, THEIR PRODUCTION AND USE. | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1992-09-30 | — | — | EP | disclosed |
| WO-1991009017-A1 | QUINOLINE DERIVATIVES, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-06-27 | — | — | WO | disclosed |