Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27620304 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL3295142 | 0.83 | MAPK1 (0.33) | NPSR1CYP4F2CYP4A11DGAT1CTSK | |
| SCHEMBL21064053 | 0.81 | TSHR (0.35) | NPSR1CYP4F2CYP4A11DGAT1 | |
| SCHEMBL3296871 | 0.81 | TSHR (0.35) | NPSR1CYP4F2CYP4A11DGAT1 | |
| SCHEMBL21064071 | 0.81 | TSHR (0.35) | NPSR1CYP4F2CYP4A11DGAT1 | |
| SCHEMBL18361332 | 0.81 | TSHR (0.35) | NPSR1CYP4F2CYP4A11DGAT1 | |
| SCHEMBL18361370 | 0.81 | TSHR (0.35) | NPSR1CYP4F2CYP4A11DGAT1 | |
| SCHEMBL22874559 | 0.81 | TSHR (0.35) | NPSR1CYP4F2CYP4A11DGAT1 | |
| SCHEMBL4499031 | 0.78 | MAPK1 (0.33) | CYP4F2CYP4A11DGAT1CTSK | |
| SCHEMBL2312894 | 0.77 | MAPK1 (0.34) | CYP4F2CYP4A11DGAT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2431370-A1 | Monoacylated 1,2-diaminocycloalkanes | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2012-03-21 | — | — | EP | disclosed |
| US-7935824-B2 | Ethylenediamine derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2011-05-03 | — | — | US | disclosed |