Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | CTSC | P53634 | 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 | |
|---|---|---|---|---|
| SCHEMBL27735475 | 0.74 | CYP1A2 (0.39) | CYP1A2CYP3A4RECQLMAPK1PIK3CD | |
| SCHEMBL27735477 | 0.74 | CYP1A2 (0.39) | CYP1A2CYP3A4RECQLMAPK1PIK3CD | |
| SCHEMBL19944907 | 0.71 | PIK3CD (0.61) | CYP1A2CYP3A4RECQLMAPK1PIK3CD | |
| SCHEMBL349826 | 0.67 | CYP1A2 (0.42) | CYP1A2CYP3A4RECQLMAPK1 | |
| SCHEMBL18843220 | 0.65 | CYP1A2 (0.41) | CYP1A2CYP3A4RECQLMAPK1 | |
| SCHEMBL21141432 | 0.65 | PIK3CD (0.36) | CYP1A2CYP3A4RECQLMAPK1PIK3CD | |
| SCHEMBL1687263 | 0.65 | — | — | |
| SCHEMBL27206753 | 0.64 | PTGS1 (0.35) | — | |
| SCHEMBL12308386 | 0.64 | CYP1A2 (0.37) | CYP1A2CYP3A4RECQLMAPK1PIK3CD | |
| SCHEMBL1036347 | 0.63 | GABRR1 (0.37) | CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105440110-A | Chemical synthetic method for anti-inflammatory cyclopeptide cyclosquamosin D | SHANGHAI ABBIOCHEM COMPANY LTD | 2016-03-30 | — | — | CN | disclosed |