Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 3/20 | 0.35 |
| ▸ | TDO2 | P48775 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.34 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.34 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.34 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.34 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.34 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.34 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.34 |
| ▸ | BMPR2 | Q13873 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 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 | |
|---|---|---|---|---|
| SCHEMBL23968062 | 0.84 | MELK (0.40) | MELKMAPTMAPK1IDO1TDO2 | |
| SCHEMBL23968105 | 0.84 | MELK (0.39) | MELKMAPTEGLN1ACVR1ALDH1A1 | |
| SCHEMBL23968179 | 0.82 | GRM4 (0.44) | MELKEGLN1IDO1TDO2CYP3A4 | |
| SCHEMBL23968076 | 0.81 | MELK (0.41) | MELKMAPTMAPK1IDO1TDO2 | |
| SCHEMBL23968001 | 0.79 | MELK (0.51) | MELKMAPTMAPK1ALDH1A1GRM4 | |
| SCHEMBL23968115 | 0.77 | POLB (0.42) | MELKMAPTEGLN1 | |
| SCHEMBL23968168 | 0.77 | MELK (0.46) | MELKMAPTEGLN1ALDH1A1GRM4 | |
| SCHEMBL23967998 | 0.76 | MELK (0.41) | MELKMAPTEGLN1ALDH1A1GRM4 | |
| SCHEMBL23968099 | 0.76 | GRM4 (0.46) | MELKEGLN1GRM4 | |
| SCHEMBL23968157 | 0.75 | MELK (0.40) | MELKMAPTEGLN1ACVR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3104705-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2021-11-03 | — | — | EP | disclosed |