Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 13/20 | 0.50 |
| ▸ | REN | P00797 | 2/20 | 0.50 |
| ▸ | CTSS | P25774 | 6/20 | 0.49 |
| ▸ | CTSL | P07711 | 5/20 | 0.49 |
| ▸ | CTSB | P07858 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | CASP6 | P55212 | 1/20 | 0.45 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3029758 | 0.85 | CTSK (0.55) | CTSKRENCTSSCTSLCTSB | |
| SCHEMBL10570700 | 0.84 | CTSK (0.54) | CTSKRENCTSSCTSLCTSB | |
| SCHEMBL13537000 | 0.83 | CASP1 (0.44) | CTSKCTSSCTSLCTSBCYP1A2 | |
| SCHEMBL29866155 | 0.83 | CTSL (0.59) | CTSKCTSSCTSLCTSB | |
| SCHEMBL29865831 | 0.83 | CTSL (0.59) | CTSKCTSSCTSLCTSB | |
| SCHEMBL5960343 | 0.81 | CTSK (0.54) | CTSKRENCTSSCTSLCTSB | |
| SCHEMBL5960342 | 0.81 | CTSK (0.54) | CTSKRENCTSSCTSLCTSB | |
| SCHEMBL3042938 | 0.80 | CTSK (0.57) | CTSKRENCTSSCTSLCTSB | |
| SCHEMBL29865843 | 0.80 | CTSK (0.57) | CTSKRENCTSSCTSLCTSB | |
| SCHEMBL3042936 | 0.80 | CTSK (0.57) | CTSKRENCTSSCTSLCTSB |
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-1637528-A1 | Oxygenated-heterocycle containing sulfonamide inhibitors of aspartyl protease | Vertex Pharmaceuticals Incorporated (US) | 2006-03-22 | — | — | EP | disclosed |
| EP-1136479-B1 | Oxygenated-heterocycle containing sulfonamide inhibitors of aspartyl protease | VERTEX PHARMA (US) | 2005-12-28 | — | — | EP | disclosed |
| EP-0833826-B1 | Oxygenated-heterocycle containing sulfonamide inhibitors of aspartyl protease | VERTEX PHARMA (US) | 2002-01-23 | — | — | EP | disclosed |
| EP-1136479-A1 | Oxygenated-heterocycle containing sulfonamide inhibitors of aspartyl protease | Vertex Pharmaceuticals Incorporated (US) | 2001-09-26 | — | — | EP | disclosed |
| US-5990155-A | VIRICIDES AGAINST THE HIV-1 AND HIV-2 VIRUSES; REVERSE TRANSCRIPTASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-11-23 | — | — | US | disclosed |
| EP-0833826-A1 | OXYGENATED-HETEROCYCLE CONTAINING SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE | Vertex Pharmaceuticals Incorporated (US) | 1998-04-08 | — | — | EP | disclosed |
| US-5691372-A | Oxygenated-Heterocycle containing sulfonamide inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-11-25 | — | — | US | disclosed |
| WO-1996033187-A1 | OXYGENATED-HETEROCYCLE CONTAINING SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1996-10-24 | — | — | WO | disclosed |