Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 9/20 | 0.48 |
| ▸ | CA2 | P00918 | 9/20 | 0.48 |
| ▸ | CA12 | O43570 | 5/20 | 0.48 |
| ▸ | CA9 | Q16790 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL755178 | 0.95 | TDP1 (0.54) | TDP1CYP3A4MEN1GAAKMT2A | |
| SCHEMBL6502824 | 0.89 | TDP1 (0.49) | TDP1CYP3A4MEN1GAAKMT2A | |
| SCHEMBL7207224 | 0.87 | TDP1 (0.69) | TDP1CYP3A4MEN1GAAKMT2A | |
| SCHEMBL15297525 | 0.84 | TDP1 (0.60) | TDP1CYP3A4MEN1GAAKMT2A | |
| SCHEMBL14073950 | 0.83 | TDP1 (0.59) | TDP1CYP3A4MEN1GAAKMT2A | |
| SCHEMBL30864499 | 0.83 | TDP1 (0.59) | TDP1CYP3A4MEN1GAAKMT2A | |
| SCHEMBL13827947 | 0.83 | TDP1 (0.63) | TDP1CYP3A4MEN1GAAKMT2A | |
| SCHEMBL15746878 | 0.83 | TDP1 (0.63) | TDP1CYP3A4MEN1GAAKMT2A | |
| SCHEMBL25827504 | 0.83 | TDP1 (0.58) | TDP1CYP3A4MEN1GAAKMT2A | |
| SCHEMBL15373105 | 0.82 | TDP1 (0.62) | TDP1CYP3A4MEN1GAAKMT2A |
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 7 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 |
| 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-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-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-20080161254-A1 | HCV INHIBITORS | HAVCR2, ZC3HAV1, EIF2AK2 | TDP1 4060/4885CYP3A4 821/4885MEN1 4766/4885 |
| US-20090270415-A1 | COMPOUNDS THAT INHIBIT PROTEASE CATHEPSIN S AND HCV REPLICATION | CTSS, CTSV, CTSE | TDP1 2346/4885CYP3A4 1473/4885MEN1 3350/4885 |
| 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 | TDP1 3438/4885CYP3A4 388/4885MEN1 4866/4885 |
“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.