Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CTSD | P07339 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.39 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4875583 | 1.00 | MLNR (0.42) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4875573 | 1.00 | MLNR (0.42) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL7430295 | 1.00 | MLNR (0.42) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4869020 | 0.92 | MLNR (0.51) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4869026 | 0.92 | MLNR (0.51) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4865855 | 0.92 | MAPT (0.44) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4865833 | 0.92 | MAPT (0.44) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4865844 | 0.92 | MAPT (0.44) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4875377 | 0.89 | CTSD (0.52) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4872912 | 0.89 | MLNR (0.44) | MLNRABCB11LMNACTSDCYP3A4 |
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-1086076-A1 | SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE | Vertex Pharmaceuticals Incorporated (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999065870-A2 | SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-12-23 | — | — | WO | disclosed |