Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | USP8 | P40818 | 1/20 | 0.34 |
| ▸ | USP7 | Q93009 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.34 |
| ▸ | ACP1 | P24666 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12615990 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL8833896 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL3652030 | 0.77 | CTSA (0.40) | PTGESTRPA1ESR2GABRG2GABRB3 | |
| SCHEMBL6816520 | 0.76 | PRMT5 (0.36) | PTGESUSP8USP7 | |
| SCHEMBL5491968 | 0.76 | LRRK2 (0.38) | PTGESMAP2K1KCNH2 | |
| Water SCHEMBL27638702 | 0.76 | MEN1 (0.31) | — | |
| SCHEMBL23161505 | 0.73 | MEN1 (0.36) | — | |
| SCHEMBL7768911 | 0.73 | KCNN4 (0.35) | KCNN4 | |
| SCHEMBL1774388 | 0.73 | DCUN1D1 (0.47) | PTGES | |
| SCHEMBL3397570 | 0.73 | DCUN1D1 (0.47) | NISCH |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108601769-B | Pyrazole compounds and methods of making and using the same | H.隆德贝克有限公司 | 2021-09-03 | — | — | CN | disclosed |
| 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 |