Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KCNE1 | P15382 | 7/20 | 0.35 |
| ▸ | KCNQ1 | P51787 | 7/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.33 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KCND3 | Q9UK17 | 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 | |
|---|---|---|---|---|
| SCHEMBL8794829 | 1.00 | IDO1 (0.38) | IDO1L3MBTL1KCNE1KCNQ1KDM4E | |
| SCHEMBL8794827 | 1.00 | IDO1 (0.38) | IDO1L3MBTL1KCNE1KCNQ1KDM4E | |
| SCHEMBL9146935 | 0.82 | IDO1 (0.39) | IDO1L3MBTL1KCNE1KCNQ1KDM4E | |
| SCHEMBL9197769 | 0.82 | IDO1 (0.39) | IDO1L3MBTL1KCNE1KCNQ1KDM4E | |
| SCHEMBL9197778 | 0.82 | IDO1 (0.39) | IDO1L3MBTL1KCNE1KCNQ1KDM4E | |
| SCHEMBL10638850 | 0.81 | KCNE1 (0.52) | IDO1KCNE1KCNQ1ABCC9 | |
| SCHEMBL10638845 | 0.81 | KCNE1 (0.52) | IDO1KCNE1KCNQ1ABCC9 | |
| SCHEMBL10638859 | 0.81 | KCNE1 (0.52) | IDO1KCNE1KCNQ1ABCC9 | |
| SCHEMBL9581291 | 0.78 | IDO1 (0.37) | IDO1L3MBTL1KCNE1KCNQ1KDM4E | |
| SCHEMBL9581706 | 0.78 | IDO1 (0.40) | IDO1L3MBTL1KCNE1KCNQ1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5500442-A | Cyclobut-3-ene-1,2-dione derivatives as smooth muscle relaxants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-03-19 | — | — | US | disclosed |