Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | BTK | Q06187 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 5/20 | 0.39 |
| ▸ | CTSS | P25774 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15081371 | 1.00 | KMT2A (0.50) | KMT2ABTKCA1CA2CA7 | |
| SCHEMBL20470278 | 0.97 | KMT2A (0.50) | KMT2ABTKCA1CA2CA7 | |
| SCHEMBL20470214 | 0.97 | KMT2A (0.50) | KMT2ABTKCA1CA2CA7 | |
| SCHEMBL22506480 | 0.97 | KMT2A (0.50) | KMT2ABTKCA1CA2CA7 | |
| SCHEMBL9358329 | 0.95 | KMT2A (0.49) | KMT2ABTKCA1CA2CA7 | |
| SCHEMBL9358337 | 0.95 | KMT2A (0.49) | KMT2ABTKCA1CA2CA7 | |
| SCHEMBL12767863 | 0.93 | KMT2A (0.56) | KMT2ABTKCA1CA2CA7 | |
| SCHEMBL27243979 | 0.93 | KMT2A (0.56) | KMT2ABTKCA1CA2CA7 | |
| SCHEMBL15081293 | 0.93 | KMT2A (0.56) | KMT2ABTKCA1CA2CA7 | |
| SCHEMBL5317241 | 0.86 | KMT2A (0.47) | KMT2ABTKCA1CA2CA7 |
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 |