Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | L3MBTL3 | Q96JM7 | 5/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.38 |
| ▸ | MBTD1 | Q05BQ5 | 4/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL22025188 | 1.00 | CYP2D6 (0.39) | CYP2D6CYP2C19L3MBTL3L3MBTL1MBTD1 | |
| SCHEMBL23158171 | 0.83 | HRH3 (0.33) | CYP2D6CYP2C19HRH3 | |
| SCHEMBL10077095 | 0.82 | CYP2D6 (0.43) | CYP2D6CYP2C19L3MBTL3L3MBTL1MBTD1 | |
| SCHEMBL20756261 | 0.80 | L3MBTL3 (0.50) | CYP2D6CYP2C19L3MBTL3L3MBTL1MBTD1 | |
| Methane SCHEMBL15974763 | 0.80 | — | — | |
| SCHEMBL26109078 | 0.80 | L3MBTL3 (0.50) | CYP2D6CYP2C19L3MBTL3L3MBTL1MBTD1 | |
| SCHEMBL827994 | 0.80 | — | — | |
| SCHEMBL26111928 | 0.80 | L3MBTL3 (0.50) | CYP2D6CYP2C19L3MBTL3L3MBTL1MBTD1 | |
| SCHEMBL26394048 | 0.80 | L3MBTL3 (0.50) | CYP2D6CYP2C19L3MBTL3L3MBTL1MBTD1 | |
| SCHEMBL3313037 | 0.80 | — | — |
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-3059238-B1 | FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF | SHANGHAI YINGLI PHARM CO LTD (CN) | 2020-05-27 | — | — | EP | disclosed |