Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.54 |
| ▸ | BTK | Q06187 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL3988278 | 0.97 | EPHX1 (0.57) | EPHX1BTKTDP1KMT2AMEN1 | |
| SCHEMBL3763770 | 0.95 | EPHX1 (0.60) | EPHX1BTKTDP1KMT2AMEN1 | |
| SCHEMBL29618895 | 0.85 | BTK (0.50) | EPHX1BTKTDP1KMT2AMEN1 | |
| SCHEMBL15778148 | 0.83 | TDP1 (0.49) | EPHX1BTKTDP1KMT2AMEN1 | |
| SCHEMBL23366831 | 0.81 | EPHX1 (0.51) | EPHX1BTKTDP1KMT2AMEN1 | |
| SCHEMBL3389480 | 0.81 | TDP1 (0.53) | EPHX1BTKTDP1KMT2AMEN1 | |
| SCHEMBL923552 | 0.80 | EPHX1 (0.54) | EPHX1BTKTDP1KMT2AMEN1 | |
| SCHEMBL9931314 | 0.77 | KMT2A (0.50) | EPHX1BTKTDP1KMT2AMEN1 | |
| SCHEMBL24366678 | 0.77 | BTK (0.43) | EPHX1BTKTDP1KMT2AMEN1 | |
| SCHEMBL608970 | 0.77 | MAOA (0.60) | EPHX1TDP1KMT2AMEN1GAA |
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 8 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 |
| EP-2431379-A2 | HCV inhibitors | Virobay, Inc. (US) | 2012-03-21 | — | — | EP | disclosed |
| US-20100266537-A1 | HCV INHIBITORS | VIROBAY, INC. (US) | 2010-10-21 | — | — | US | disclosed |
| US-7608592-B2 | HCV inhibitors | VIROBAY, INC. (US) | 2009-10-27 | — | — | US | disclosed |
| WO-2008086053-A1 | HCV INHIBITORS | VIROBAY, INC. (US) | 2008-07-17 | — | — | WO | 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 (3 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 2234/4885BTK 2390/4885TDP1 4032/4885 |
| US-20080161254-A1 | HCV INHIBITORS | HAVCR2, ZC3HAV1, EIF2AK2 | EPHX1 2254/4885BTK 2215/4885TDP1 4060/4885 |
| 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 2310/4885BTK 1848/4885TDP1 3438/4885 |
“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.