Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 1/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CTSD | P07339 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.52 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4874598 | 0.94 | MLNR (0.57) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4863844 | 0.90 | MLNR (0.52) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4863840 | 0.90 | MLNR (0.52) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL6616657 | 0.87 | MLNR (0.48) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4869459 | 0.85 | KLK5 (0.48) | — | |
| SCHEMBL4869464 | 0.85 | KLK5 (0.48) | — | |
| SCHEMBL6796302 | 0.84 | MLNR (0.66) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL6796299 | 0.84 | MLNR (0.66) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL14065842 | 0.84 | MLNR (0.66) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL14074364 | 0.84 | KLK5 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1086076-B1 | SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMA (US) | 2004-12-22 | — | — | EP | disclosed |