Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 1/20 | 0.69 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 1/20 | 0.69 |
| ▸ | CTSD | P07339 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.69 |
| ▸ | CNR1 | P21554 | 1/20 | 0.69 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.69 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL13927322 | 1.00 | MLNR (0.69) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL13950773 | 0.93 | MLNR (0.71) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL13927321 | 0.92 | MLNR (0.66) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL12709175 | 0.92 | MLNR (0.66) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4159707 | 0.91 | MLNR (0.68) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL12709331 | 0.91 | MLNR (0.68) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4159706 | 0.91 | MLNR (0.68) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL1601972 | 0.90 | MLNR (0.71) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL1601974 | 0.90 | MLNR (0.71) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL12709582 | 0.90 | MLNR (0.71) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7919523-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS, INC. (US) | 2011-04-05 | — | — | US | disclosed |
| US-7919523-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS, INC. (US) | 2011-04-05 | — | — | US | disclosed |
| US-7442718-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-10-28 | — | — | US | disclosed |
| US-7442718-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-10-28 | — | — | US | disclosed |