Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | VDR | P11473 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL9935470 | 0.69 | ALDH1A1 (0.32) | VDR | |
| SCHEMBL4918786 | 0.69 | — | — | |
| SCHEMBL13097175 | 0.69 | CYP2D6 (0.44) | CYP2D6VDRMAPTGSK3BPDE2A | |
| SCHEMBL27908044 | 0.67 | CYP2D6 (0.46) | CYP2D6MAPT | |
| SCHEMBL12003960 | 0.67 | VDR (0.33) | CYP2D6VDRPDE2APDE10A | |
| SCHEMBL12004395 | 0.67 | VDR (0.33) | CYP2D6VDRPDE2APDE10A | |
| SCHEMBL6255661 | 0.67 | HRH3 (0.49) | MAPT | |
| SCHEMBL12004784 | 0.66 | VDR (0.36) | CYP2D6VDRPDE2APDE10A | |
| SCHEMBL19783211 | 0.66 | CYP2D6 (0.41) | CYP2D6VDRMAPTGSK3BPDE2A | |
| SCHEMBL15782889 | 0.65 | L3MBTL1 (0.52) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3145915-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2017-03-29 | — | — | EP | disclosed |
| EP-3055288-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015176640-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2015-11-26 | — | — | WO | disclosed |
| WO-2015051725-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |