Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL13730605 | 0.80 | KDM4E (0.50) | KDM4EALOX15MAPK1CASP1HSD17B10 | |
| SCHEMBL22906113 | 0.63 | — | — | |
| SCHEMBL18999318 | 0.60 | KDM4E (0.33) | KDM4EALOX15MAPK1CASP1HSD17B10 | |
| SCHEMBL13111746 | 0.60 | KDM4E (0.38) | KDM4EALOX15MAPK1CASP1HSD17B10 | |
| SCHEMBL13784815 | 0.59 | — | — | |
| SCHEMBL8437874 | 0.56 | KDM4E (0.39) | KDM4EALOX15MAPK1CASP1HSD17B10 | |
| SCHEMBL21428244 | 0.56 | — | — | |
| SCHEMBL18257672 | 0.54 | CA12 (0.41) | KDM4ESMN1; SMN2 | |
| SCHEMBL926802 | 0.54 | TAS1R3 (0.35) | — | |
| SCHEMBL1998603 | 0.54 | — | — |
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-3778569-A1 | N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2021-02-17 | — | — | EP | disclosed |