Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 4/20 | 0.38 |
| ▸ | CFD | P00746 | 11/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | FNTA | P49354 | 1/20 | 0.36 |
| ▸ | FNTB | P49356 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6919836 | 0.88 | ALDH1A1 (0.55) | ALDH1A1F2CYP3A4FNTAFNTB | |
| SCHEMBL6922995 | 0.84 | ALDH1A1 (0.36) | ALDH1A1F2CTSLCTSS | |
| SCHEMBL6918158 | 0.82 | ALDH1A1 (0.49) | ALDH1A1F2CYP3A4FNTAFNTB | |
| SCHEMBL6919773 | 0.81 | F2 (0.40) | F2CFDCYP3A4CTSLCTSS | |
| SCHEMBL6917428 | 0.79 | F2 (0.41) | F2CFDCYP3A4CTSLCTSS | |
| SCHEMBL6919181 | 0.79 | F2 (0.41) | F2CFDCYP3A4CTSLCTSS | |
| SCHEMBL6920024 | 0.79 | ALDH1A1 (0.46) | ALDH1A1F2CYP3A4FNTAFNTB | |
| SCHEMBL6921244 | 0.79 | F2 (0.47) | F2CFDCYP3A4 | |
| SCHEMBL6918596 | 0.78 | F2 (0.42) | ALDH1A1F2CFDCYP3A4 | |
| SCHEMBL6918602 | 0.78 | F2 (0.42) | ALDH1A1F2CFDCYP3A4 |
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-2004032834-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2004-04-22 | — | — | WO | disclosed |