Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APAF1 | O14727 | 6/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | CBLB | Q13191 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18214837 | 0.78 | NOS1 (0.41) | LMNAGAAAKR1C3AKR1C2AKR1C1 | |
| SCHEMBL25619472 | 0.78 | NOS1 (0.41) | LMNAGAAAKR1C3AKR1C2AKR1C1 | |
| SCHEMBL17261464 | 0.78 | KMT2A (0.46) | APAF1POLBLMNA | |
| SCHEMBL6972157 | 0.77 | GAA (0.38) | POLBLMNAGAAAKR1C3AKR1C2 | |
| SCHEMBL4327114 | 0.74 | HTR2A (0.38) | GAACBLBGFER | |
| SCHEMBL24884612 | 0.73 | THRB (0.39) | LMNAGAAAKR1C3AKR1C2AKR1C1 | |
| SCHEMBL20703040 | 0.72 | THRB (0.45) | LMNAGAAAKR1C3AKR1C2AKR1C1 | |
| SCHEMBL21576901 | 0.71 | THRB (0.47) | LMNAGAAAKR1C3AKR1C2AKR1C1 | |
| SCHEMBL19281430 | 0.70 | XPO1 (0.39) | APAF1POLBLMNAAKR1C3AKR1C2 | |
| SCHEMBL16590485 | 0.69 | LMNA (0.46) | APAF1POLBLMNAGAAL3MBTL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2366704-B1 | Inhibitors of serine proteases | VERTEX PHARMA (US) | 2013-10-23 | — | — | EP | disclosed |
| EP-2631238-A1 | Spirocyclic inhibitors of serine proteases for the treatment of hcv infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-08-28 | — | — | EP | disclosed |
| EP-1917269-B1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMA (US) | 2011-10-26 | — | — | EP | disclosed |
| EP-2366704-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-21 | — | — | EP | disclosed |
| EP-2364984-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-14 | — | — | EP | disclosed |