Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRMT5 | O14744 | 3/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 3/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21806014 | 0.78 | MKNK1 (0.47) | AKT1 | |
| SCHEMBL6919819 | 0.76 | DPP4 (0.47) | DPP4ALDH1A1L3MBTL1 | |
| SCHEMBL8112420 | 0.76 | TDP2 (0.39) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5855503 | 0.75 | DPP4 (0.46) | DPP4 | |
| SCHEMBL28388519 | 0.75 | PDE5A (0.34) | — | |
| SCHEMBL16380549 | 0.75 | MKNK1 (0.38) | PRMT5WDR77ALDH1A1 | |
| SCHEMBL12615990 | 0.72 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1 | |
| SCHEMBL2627823 | 0.72 | TNKS2 (0.34) | — | |
| SCHEMBL18226941 | 0.72 | CA1 (0.34) | — | |
| SCHEMBL17478606 | 0.72 | MKNK1 (0.38) | ALDH1A1L3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1359913-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2003-11-12 | — | — | EP | disclosed |
| WO-2002064211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-08-22 | — | — | WO | disclosed |
| WO-2002064140-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-08-22 | — | — | WO | disclosed |
| WO-2002064559-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-08-22 | — | — | WO | disclosed |