Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 3/20 | 0.60 |
| ▸ | NOS3 | P29474 | 2/20 | 0.60 |
| ▸ | NOS1 | P29475 | 2/20 | 0.60 |
| ▸ | KIF11 | P52732 | 6/20 | 0.44 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.43 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.43 |
| ▸ | GSR | P00390 | 2/20 | 0.43 |
| ▸ | GRM8 | O00222 | 1/20 | 0.43 |
| ▸ | GRM6 | O15303 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.43 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.43 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.43 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1200264 | 1.00 | NOS2 (0.60) | NOS2NOS3NOS1KIF11GRIK1 | |
| Hydrochloric Acid SCHEMBL1200508 | 0.98 | NOS2 (0.61) | NOS2NOS3NOS1KIF11GRIK1 | |
| SCHEMBL2265541 | 0.82 | NOS2 (0.57) | NOS2NOS3NOS1KIF11GRIK1 | |
| SCHEMBL2265536 | 0.82 | NOS2 (0.57) | NOS2NOS3NOS1KIF11GRIK1 | |
| SCHEMBL310316 | 0.81 | NOS2 (0.55) | NOS2NOS3NOS1KIF11GRIK1 | |
| SCHEMBL310317 | 0.81 | NOS2 (0.55) | NOS2NOS3NOS1KIF11GRIK1 | |
| SCHEMBL2888856 | 0.81 | NOS2 (0.55) | NOS2NOS3NOS1KIF11GRIK1 | |
| SCHEMBL1199856 | 0.79 | NOS2 (0.41) | NOS2NOS3NOS1KIF11SLC1A1 | |
| SCHEMBL1200123 | 0.79 | NOS2 (0.41) | NOS2NOS3NOS1KIF11SLC1A1 | |
| SCHEMBL19918387 | 0.79 | NOS2 (0.54) | NOS2NOS3NOS1KIF11GRIK1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2079683-B1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2015-01-21 | — | — | EP | disclosed |
| US-20140221478-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2014-08-07 | — | — | US | disclosed |
| US-8367732-B2 | Di-fluoro containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2013-02-05 | — | — | US | disclosed |
| US-8367732-B2 | Di-fluoro containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2013-02-05 | — | — | US | disclosed |
| US-20110172310-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2011-07-14 | — | — | US | disclosed |
| US-20110172310-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2011-07-14 | — | — | US | disclosed |
| US-7781487-B2 | Di-fluoro containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2010-08-24 | — | — | US | disclosed |
| WO-2009123623-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2009-10-08 | — | — | WO | disclosed |
| EP-2079683-A2 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | ViroBay, Inc. (US) | 2009-07-22 | — | — | EP | disclosed |
| US-20080214676-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2008-09-04 | — | — | US | disclosed |
| WO-2008042968-A2 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2008-04-10 | — | — | WO | 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-20080214676-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | NOS2 4496/4885NOS3 4294/4885NOS1 4449/4885 |
| US-20140221478-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | NOS2 4496/4885NOS3 4294/4885NOS1 4449/4885 |
| US-20110172310-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | NOS2 4496/4885NOS3 4294/4885NOS1 4449/4885 |
“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.