Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | KCNE1 | P15382 | 7/20 | 0.34 |
| ▸ | KCNQ1 | P51787 | 7/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TERT | O14746 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9753172 | 1.00 | IDO1 (0.36) | IDO1KCNA5CNR2BACE1KCNE1 | |
| SCHEMBL9753173 | 1.00 | IDO1 (0.36) | IDO1KCNA5CNR2BACE1KCNE1 | |
| SCHEMBL9141226 | 0.90 | IDO1 (0.35) | IDO1KCNA5CNR2KCNE1KCNQ1 | |
| SCHEMBL7874513 | 0.90 | IDO1 (0.35) | IDO1KCNA5CNR2KCNE1KCNQ1 | |
| SCHEMBL9141834 | 0.90 | IDO1 (0.35) | IDO1KCNA5CNR2KCNE1KCNQ1 | |
| SCHEMBL9752659 | 0.88 | IDO1 (0.36) | IDO1CNR2BACE1 | |
| SCHEMBL9752657 | 0.88 | IDO1 (0.36) | IDO1CNR2BACE1 | |
| SCHEMBL9581287 | 0.87 | IDO1 (0.37) | IDO1CNR2KCNE1KCNQ1L3MBTL1 | |
| SCHEMBL9581289 | 0.87 | IDO1 (0.37) | IDO1CNR2KCNE1KCNQ1L3MBTL1 | |
| SCHEMBL9581291 | 0.87 | IDO1 (0.37) | IDO1CNR2KCNE1KCNQ1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991009031-A1 | TRIFLUOROMETHYL SUBSTITUTED COMPOUNDS AND A PHARMACEUTICAL COMPOSITION | BEECHAM GROUP PLC (GB) | 1991-06-27 | — | — | WO | disclosed |