Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.43 |
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.43 |
| ▸ | RELA | Q04206 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2442757 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL27392980 | 0.77 | LMNA (0.38) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL29768993 | 0.77 | LMNA (0.38) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL22056621 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL29566288 | 0.77 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL9510001 | 0.77 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL13859011 | 0.77 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL13859010 | 0.77 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL30390367 | 0.76 | KDM4E (0.44) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL27392988 | 0.75 | ALDH1A1 (0.32) | 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 |