Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 4/20 | 0.37 |
| ▸ | MASP2 | O00187 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL6920701 | 0.89 | GPBAR1 (0.38) | GPBAR1F2KMT2AMEN1L3MBTL1 | |
| SCHEMBL6919769 | 0.84 | GPBAR1 (0.36) | GPBAR1F2KMT2AMEN1L3MBTL1 | |
| SCHEMBL6919448 | 0.82 | F2 (0.46) | F2MASP2KMT2AMEN1ALDH1A1 | |
| SCHEMBL6914966 | 0.82 | F2 (0.46) | F2MASP2KMT2AMEN1ALDH1A1 | |
| SCHEMBL6914976 | 0.82 | F2 (0.46) | F2MASP2KMT2AMEN1ALDH1A1 | |
| SCHEMBL6919450 | 0.82 | MAOB (0.44) | GPBAR1F2KMT2AMEN1L3MBTL1 | |
| SCHEMBL6914971 | 0.82 | MAOB (0.44) | GPBAR1F2KMT2AMEN1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL6919801 | 0.81 | F2 (0.46) | F2MASP2KMT2AMEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6919807 | 0.81 | F2 (0.46) | F2MASP2KMT2AMEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6920557 | 0.81 | F2 (0.46) | F2MASP2KMT2AMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004032834-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2004-04-22 | — | — | WO | claimed |
| WO-2004032834-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2004-04-22 | — | — | WO | disclosed |