Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 7/20 | 0.52 |
| ▸ | MEN1 | O00255 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.38 |
| ▸ | RELA | Q04206 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2446866 | 1.00 | ALDH1A1 (0.61) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL2443371 | 0.87 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL2009596 | 0.87 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL2009598 | 0.87 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL2446293 | 0.83 | ALDH1A1 (0.75) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL2446290 | 0.83 | ALDH1A1 (0.75) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL15463039 | 0.72 | HPGD (0.59) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL3471747 | 0.72 | HPGD (0.59) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL3471744 | 0.72 | HPGD (0.59) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL2449841 | 0.71 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM |
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 |