Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 9/20 | 0.38 |
| ▸ | F2 | P00734 | 8/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7259973 | 1.00 | CASP1 (0.38) | CASP1F2ALDH1A1PRSS1PRSS2 | |
| SCHEMBL7257933 | 0.92 | MEN1 (0.41) | CASP1F2ALDH1A1PRSS1PRSS2 | |
| SCHEMBL7257930 | 0.92 | MEN1 (0.41) | CASP1F2ALDH1A1PRSS1PRSS2 | |
| SCHEMBL7260066 | 0.84 | F2 (0.46) | F2PRSS1PRSS2PRSS3 | |
| SCHEMBL7260070 | 0.84 | F2 (0.37) | CASP1F2ALDH1A1PRSS1PRSS2 | |
| SCHEMBL5855244 | 0.77 | F2 (0.41) | F2PRSS1PRSS2PRSS3 | |
| SCHEMBL5855236 | 0.77 | F2 (0.41) | F2PRSS1PRSS2PRSS3 | |
| SCHEMBL7257941 | 0.76 | ATM (0.41) | F2ALDH1A1PRSS1PRSS2PRSS3 | |
| SCHEMBL5855166 | 0.73 | MEN1 (0.47) | F2ALDH1A1PRSS1PRSS2PRSS3 | |
| SCHEMBL7257938 | 0.72 | F2 (0.38) | F2PRSS1PRSS2PRSS3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003011222-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2003-02-13 | — | — | WO | disclosed |