Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CTSD | P07339 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7563848 | 1.00 | MLNR (0.45) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL1601894 | 0.91 | MLNR (0.44) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL1601848 | 0.90 | MLNR (0.43) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL1600975 | 0.87 | MLNR (0.45) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL1601559 | 0.87 | ABCB1 (0.47) | — | |
| SCHEMBL1600633 | 0.85 | MLNR (0.43) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4873477 | 0.83 | MLNR (0.47) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4159704 | 0.83 | MLNR (0.44) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL4862489 | 0.83 | MLNR (0.47) | MLNRABCB11LMNACTSDCYP3A4 | |
| SCHEMBL1602678 | 0.82 | HTT (0.36) | 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 |
|---|---|---|---|---|---|---|---|
| US-7442718-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-10-28 | — | — | US | disclosed |
| US-6617350-B2 | Sulfonamides which are aspartyl protease inhibitors; well suited for inhibiting HIV-1 and HIV-2 protease activity | VERTEX PHARMACEUTICALS INCORPORATED | 2003-09-09 | — | — | US | disclosed |