Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 14/20 | 1.00 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.72 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.68 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL27830547 | 1.00 | AKR1C3 (1.00) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL28899315 | 0.86 | AKR1C3 (0.75) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL28461838 | 0.86 | AKR1C3 (0.75) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL28456088 | 0.84 | PTGS2 (1.00) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL28273657 | 0.84 | PTGS2 (1.00) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL28456174 | 0.82 | AKR1C3 (0.70) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL28272560 | 0.81 | AKR1C3 (0.67) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL14305636 | 0.81 | AKR1C3 (0.67) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL4025267 | 0.78 | AKR1C3 (1.00) | AKR1C3PTGS2AKR1C2AKR1C1 | |
| SCHEMBL4025271 | 0.78 | AKR1C3 (1.00) | AKR1C3PTGS2AKR1C2AKR1C1 |
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-109223754-B | Preparation and application of caffeic acid derivative for resisting HSV-1 virus | 山东中医药大学 | 2020-08-14 | — | — | CN | disclosed |