Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.57 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | METAP2 | P50579 | 2/20 | 0.57 |
| ▸ | METAP1 | P53582 | 2/20 | 0.57 |
| ▸ | BRD4 | O60885 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | MMP14 | P50281 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2445195 | 1.00 | KDM4E (0.57) | KDM4EHSP90AA1MAPTLMNAMETAP2 | |
| SCHEMBL16643739 | 0.82 | KMT2A (0.50) | KDM4EHSP90AA1MAPTLMNAMETAP2 | |
| SCHEMBL18980187 | 0.82 | KMT2A (0.50) | KDM4EHSP90AA1MAPTLMNAMETAP2 | |
| SCHEMBL196536 | 0.76 | KDM4E (0.70) | KDM4EHSP90AA1MAPTLMNAMETAP2 | |
| SCHEMBL1036680 | 0.75 | KDM4E (0.44) | KDM4EHSP90AA1MAPTLMNABRD4 | |
| SCHEMBL1036682 | 0.75 | KDM4E (0.44) | KDM4EHSP90AA1MAPTLMNABRD4 | |
| SCHEMBL16962661 | 0.75 | KDM4E (0.50) | KDM4EHSP90AA1MAPTLMNAALDH1A1 | |
| SCHEMBL16962659 | 0.75 | KDM4E (0.50) | KDM4EHSP90AA1MAPTLMNAALDH1A1 | |
| SCHEMBL2161037 | 0.74 | KDM4E (0.52) | KDM4EHSP90AA1MAPTLMNAMETAP2 | |
| SCHEMBL2161036 | 0.74 | KDM4E (0.52) | KDM4EHSP90AA1MAPTLMNAMETAP2 |
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 |