Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL13141316 | 0.84 | MAPT (0.40) | MAPTNPSR1DAOHPGDHTT | |
| SCHEMBL9849635 | 0.83 | CYP4A11 (0.53) | MAPTNPSR1CYP4A11DAOPPARA | |
| SCHEMBL13141300 | 0.80 | MAPT (0.42) | MAPTNPSR1NR1H2DAOHPGD | |
| SCHEMBL13141281 | 0.80 | MAPT (0.42) | MAPTNPSR1CYP4A11DAOCYP4F2 | |
| SCHEMBL1604772 | 0.79 | CYP4A11 (0.54) | MAPTNPSR1CYP4A11DAOCYP4F2 | |
| SCHEMBL9849871 | 0.78 | CYP4A11 (0.53) | MAPTNPSR1CYP4A11DAOCYP4F2 | |
| SCHEMBL13141297 | 0.77 | MAPT (0.39) | MAPTNPSR1NR1H2DAOHPGD | |
| SCHEMBL17433747 | 0.74 | NPSR1 (0.35) | MAPTNPSR1TDP1ALDH1A1SLC7A5 | |
| SCHEMBL15876010 | 0.74 | NPSR1 (0.35) | MAPTNPSR1TDP1ALDH1A1SLC7A5 | |
| SCHEMBL17433724 | 0.73 | MAPT (0.36) | MAPTNPSR1DAOHPGDHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3283464-A1 | FACTOR XIa INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2018-02-21 | — | — | EP | disclosed |
| WO-2016168098-A1 | FACTOR XIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-10-20 | — | — | WO | disclosed |