Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 10/20 | 0.50 |
| ▸ | CTSS | P25774 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 4/20 | 0.43 |
| ▸ | PPARG | P37231 | 3/20 | 0.43 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL3624029 | 1.00 | CTSK (0.50) | CTSKCTSSMEN1GAAKMT2A | |
| SCHEMBL27701414 | 0.94 | CTSK (0.48) | CTSKCTSSMEN1GAAKMT2A | |
| SCHEMBL31085224 | 0.94 | CTSK (0.48) | CTSKCTSSMEN1GAAKMT2A | |
| SCHEMBL2075224 | 0.94 | CTSK (0.48) | CTSKCTSSMEN1GAAKMT2A | |
| SCHEMBL12436316 | 0.90 | PPARA (0.48) | CTSKCTSSMEN1GAAKMT2A | |
| SCHEMBL6121310 | 0.90 | PPARA (0.48) | CTSKCTSSMEN1GAAKMT2A | |
| SCHEMBL2433802 | 0.90 | PPARA (0.48) | CTSKCTSSMEN1GAAKMT2A | |
| SCHEMBL3432850 | 0.89 | CTSK (0.51) | CTSKCTSSMEN1GAAKMT2A | |
| SCHEMBL6036315 | 0.89 | CTSK (0.51) | CTSKCTSSMEN1GAAKMT2A | |
| SCHEMBL3431559 | 0.89 | CTSK (0.51) | CTSKCTSSMEN1GAAKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2203420-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2010-07-07 | — | — | EP | disclosed |
| WO-2009042093-A1 | HIV PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2009-04-02 | — | — | WO | disclosed |