Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 6/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL743013 | 1.00 | EPHX1 (0.51) | EPHX1MEN1KMT2AGAATDP1 | |
| Hydrochloric Acid SCHEMBL16007752 | 0.95 | GAA (0.54) | EPHX1MEN1KMT2AGAATDP1 | |
| SCHEMBL7937653 | 0.82 | EPHX1 (0.50) | EPHX1MEN1KMT2AGAATDP1 | |
| SCHEMBL25495471 | 0.80 | EPHX1 (0.63) | EPHX1MEN1KMT2AGAATDP1 | |
| SCHEMBL20010904 | 0.80 | EPHX1 (0.63) | EPHX1MEN1KMT2AGAATDP1 | |
| SCHEMBL19611472 | 0.79 | MEN1 (0.59) | MEN1KMT2AGAATDP1MAOA | |
| SCHEMBL6823852 | 0.79 | MEN1 (0.69) | MEN1KMT2AGAATDP1MAOA | |
| SCHEMBL2032033 | 0.79 | MEN1 (0.69) | MEN1KMT2AGAATDP1MAOA | |
| SCHEMBL19611471 | 0.79 | MEN1 (0.59) | MEN1KMT2AGAATDP1MAOA | |
| SCHEMBL27515193 | 0.77 | MEN1 (0.58) | MEN1KMT2AGAATDP1MAOA |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1906945-B1 | HCV INHIBITORS | VIROBAY INC (US) | 2015-08-05 | — | — | EP | disclosed |
| US-8518874-B2 | HCV inhibitors | VIROBAY, INC. (US) | 2013-08-27 | — | — | US | disclosed |
| US-8211897-B2 | Inhibitors of cathepsin B | VIROBAY, INC. (US) | 2012-07-03 | — | — | US | disclosed |
| EP-2431379-A2 | HCV inhibitors | Virobay, Inc. (US) | 2012-03-21 | — | — | EP | disclosed |
| US-8106059-B2 | Substituted pyrazines that inhibit protease cathepsin S and HCV replication | VIROBAY, INC. (US) | 2012-01-31 | — | — | US | disclosed |
| US-20100266537-A1 | HCV INHIBITORS | VIROBAY, INC. (US) | 2010-10-21 | — | — | US | disclosed |
| US-20090270415-A1 | COMPOUNDS THAT INHIBIT PROTEASE CATHEPSIN S AND HCV REPLICATION | VIROBAY, INC. (US) | 2009-10-29 | — | — | US | disclosed |
| US-7608592-B2 | HCV inhibitors | VIROBAY, INC. (US) | 2009-10-27 | — | — | US | disclosed |
| US-20090203629-A1 | INHIBITORS OF CATHEPSIN B | VIROBAY, INC. (US) | 2009-08-13 | — | — | US | disclosed |
| CN-101242816-A | HCV inhibitors | VIROBAY INC (US) | 2008-08-13 | — | — | CN | disclosed |
| US-20080161254-A1 | HCV INHIBITORS | VIROBAY, INC. (US) | 2008-07-03 | — | — | US | disclosed |
| US-20070054864-A1 | 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections | QUEST DIAGNOSTICS INVESTMENTS LLC | 2007-03-08 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100266537-A1 | HCV INHIBITORS | HAVCR2, EIF2AK2, ZC3HAV1 | EPHX1 2234/4885MEN1 4790/4885KMT2A 4118/4885 |
| US-20080161254-A1 | HCV INHIBITORS | HAVCR2, ZC3HAV1, EIF2AK2 | EPHX1 2254/4885MEN1 4766/4885KMT2A 4134/4885 |
| US-20090270415-A1 | COMPOUNDS THAT INHIBIT PROTEASE CATHEPSIN S AND HCV REPLICATION | CTSS, CTSV, CTSE | EPHX1 2638/4885MEN1 3350/4885KMT2A 3662/4885 |
| US-20070054864-A1 | 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections | HAVCR2, EIF2AK2, GTF3C1 | EPHX1 2310/4885MEN1 4866/4885KMT2A 3288/4885 |
| US-20090203629-A1 | INHIBITORS OF CATHEPSIN B | CTSB, CSTB, CTSF | EPHX1 2237/4885MEN1 2341/4885KMT2A 4689/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.