Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 13/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 5/20 | 0.44 |
| ▸ | CTSS | P25774 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6059038 | 0.91 | ALDH1A1 (0.52) | CTSKALDH1A1GAATSHRCYP3A4 | |
| SCHEMBL418524 | 0.91 | ALDH1A1 (0.52) | CTSKALDH1A1GAATSHRCYP3A4 | |
| SCHEMBL13412730 | 0.91 | ALDH1A1 (0.52) | CTSKALDH1A1GAATSHRCYP3A4 | |
| SCHEMBL8139199 | 0.85 | CTSK (0.54) | CTSKPSMB1CTSLCTSS | |
| SCHEMBL14416477 | 0.82 | ALDH1A1 (0.50) | CTSKALDH1A1GAATSHRCYP3A4 | |
| SCHEMBL2008481 | 0.79 | ALDH1A1 (0.51) | CTSKALDH1A1GAATSHRCYP3A4 | |
| SCHEMBL417588 | 0.78 | CTSK (0.47) | CTSKALDH1A1TSHRPSMB1CYP3A4 | |
| SCHEMBL3162515 | 0.77 | CTSL (0.49) | CTSKTSHRCTSLCTSS | |
| Acetic Acid SCHEMBL15194442 | 0.76 | CYP1A2 (0.58) | CTSKALDH1A1GAATSHRCYP3A4 | |
| SCHEMBL416749 | 0.76 | CTSK (0.55) | CTSKPSMB1CTSLCTSS |
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-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 |
| WO-2008106139-A1 | INHIBITORS OF SERINE PROTEASES FOR THE TREATMENT OF HCV INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-09-04 | — | — | WO | disclosed |
| WO-2007025307-A2 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-03-01 | — | — | WO | disclosed |