Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3671340 | 1.00 | ADH1B (0.33) | ADH1BADH1CADH1ABTKHRH3 | |
| SCHEMBL3285531 | 0.98 | ADH1C (0.35) | ADH1BADH1CADH1ABTK | |
| SCHEMBL7274112 | 0.97 | ADH1A (0.38) | ADH1BADH1CADH1ABTK | |
| SCHEMBL3285529 | 0.97 | ADH1A (0.38) | ADH1BADH1CADH1ABTK | |
| SCHEMBL3672475 | 0.80 | BTK (0.36) | BTKHRH3 | |
| SCHEMBL14666763 | 0.80 | ADH1B (0.38) | ADH1BADH1CADH1ABTK | |
| SCHEMBL5131640 | 0.79 | BTK (0.36) | BTK | |
| SCHEMBL4996407 | 0.79 | BTK (0.36) | BTK | |
| SCHEMBL9744375 | 0.77 | TSHR (0.37) | ADH1BADH1CADH1ABTK | |
| SCHEMBL2712968 | 0.77 | TSHR (0.37) | ADH1BADH1CADH1ABTK |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014061034-A1 | PROCESS FOR PREPARATION OF BOCEPREVIR AND INTERMEDIATES THEREOF | MSN LABORATORIES LIMITED (IN) | 2014-04-24 | — | — | WO | claimed |
| WO-2014061034-A1 | PROCESS FOR PREPARATION OF BOCEPREVIR AND INTERMEDIATES THEREOF | MSN LABORATORIES LIMITED (IN) | 2014-04-24 | — | — | WO | disclosed |
| EP-2237793-A1 | INHIBITORS OF CATHEPSIN B | Virobay, Inc. (US) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009100225-A1 | INHIBITORS OF CATHEPSIN B | VIROBAY, INC. (US) | 2009-08-13 | — | — | WO | disclosed |