Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11900963 | 0.85 | KMT2A (0.50) | KMT2AMEN1CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL1442422 | 0.83 | KMT2A (0.46) | KMT2AMEN1CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL28093543 | 0.83 | KMT2A (0.46) | KMT2AMEN1CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL20322844 | 0.83 | CTSS (0.50) | KMT2AALDH1A1POLBPPARGPPARA | |
| SCHEMBL692548 | 0.82 | KMT2A (0.48) | KMT2AMEN1CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL28798054 | 0.82 | KMT2A (0.51) | KMT2AMEN1CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL268273 | 0.82 | KMT2A (0.48) | KMT2AMEN1CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL268274 | 0.82 | KMT2A (0.48) | KMT2AMEN1CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL16421684 | 0.81 | KDM4E (0.49) | KMT2AMEN1CYP2C19ALDH1A1LMNA | |
| SCHEMBL7621888 | 0.81 | KDM4E (0.49) | KMT2AMEN1CYP2C19ALDH1A1LMNA |
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-3076959-B1 | ANTIDIABETIC BICYCLIC COMPOUNDS | MERCK SHARP & DOHME (US) | 2018-07-04 | — | — | EP | disclosed |