Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 6/20 | 0.47 |
| ▸ | CTSK | P43235 | 6/20 | 0.47 |
| ▸ | GRN | P28799 | 1/20 | 0.46 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 6/20 | 0.45 |
| ▸ | PPARG | P37231 | 5/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2156607 | 1.00 | CTSS (0.47) | CTSSCTSKGRNSORT1MEN1 | |
| SCHEMBL2156601 | 1.00 | CTSS (0.47) | CTSSCTSKGRNSORT1MEN1 | |
| SCHEMBL19696791 | 0.87 | CYP1A2 (0.43) | CTSSCTSKMEN1GAAKMT2A | |
| SCHEMBL19696792 | 0.87 | CYP1A2 (0.43) | CTSSCTSKMEN1GAAKMT2A | |
| SCHEMBL10224757 | 0.86 | CTSK (0.49) | CTSSCTSKMEN1GAAKMT2A | |
| SCHEMBL12486933 | 0.86 | CTSK (0.49) | CTSSCTSKMEN1GAAKMT2A | |
| SCHEMBL7279368 | 0.86 | CTSK (0.49) | CTSSCTSKMEN1GAAKMT2A | |
| SCHEMBL25266674 | 0.85 | CTSS (0.46) | CTSSCTSKMEN1GAAKMT2A | |
| SCHEMBL3714678 | 0.85 | NFKB1 (0.43) | CTSSCTSKCTSLCTSBCA1 | |
| SCHEMBL4192573 | 0.85 | CTSS (0.46) | CTSSCTSKMEN1GAAKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6617426-B1 | Peptide analogs of given formula; useful in treating neurodegenerative, autoimmune, cognitive disorders, stroke and traumatic injury | MERCK SHARP & DOHME CORP. | 2003-09-09 | — | — | US | disclosed |
| EP-1194443-A1 | CYSTEINYL PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2002-04-10 | — | — | EP | disclosed |
| WO-2000078794-A1 | CYSTEINYL PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2000-12-28 | — | — | WO | disclosed |