Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | HTT | P42858 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2447314 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HTTSMN1; SMN2PPARGPPARD | |
| SCHEMBL2007212 | 0.79 | SRC (0.45) | ALDH1A1PPARGPPARDHPGDPPARA | |
| SCHEMBL2449843 | 0.78 | ALDH1A1 (0.59) | ALDH1A1HTTSMN1; SMN2HSD17B10CYP1A2 | |
| SCHEMBL2449841 | 0.78 | ALDH1A1 (0.59) | ALDH1A1HTTSMN1; SMN2HSD17B10CYP1A2 | |
| SCHEMBL14943724 | 0.76 | HTR1A (0.42) | ALDH1A1PPARGPPARDMEN1KMT2A | |
| SCHEMBL2443371 | 0.72 | ALDH1A1 (0.49) | ALDH1A1HTTSMN1; SMN2HSD17B10CYP1A2 | |
| SCHEMBL2009598 | 0.72 | ALDH1A1 (0.49) | ALDH1A1HTTSMN1; SMN2HSD17B10CYP1A2 | |
| SCHEMBL2009596 | 0.72 | ALDH1A1 (0.49) | ALDH1A1HTTSMN1; SMN2HSD17B10CYP1A2 | |
| SCHEMBL12401804 | 0.71 | RIPK1 (0.39) | PPARGPPARDCYP1A2CYP2C19POLB | |
| SCHEMBL14877969 | 0.70 | KMT2A (0.43) | ALDH1A1PPARGPPARDMEN1KMT2A |
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 |