Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCA | P17252 | 4/20 | 0.72 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.72 |
| ▸ | MMP2 | P08253 | 1/20 | 0.59 |
| ▸ | MMP3 | P08254 | 1/20 | 0.59 |
| ▸ | MMP9 | P14780 | 1/20 | 0.59 |
| ▸ | MMP12 | P39900 | 1/20 | 0.59 |
| ▸ | MMP13 | P45452 | 1/20 | 0.59 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.58 |
| ▸ | TTR | P02766 | 3/20 | 0.54 |
| ▸ | DPP4 | P27487 | 1/20 | 0.54 |
| ▸ | APP | P05067 | 4/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | KDM1A | O60341 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | LDHA | P00338 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | TYR | P14679 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28035112 | 0.89 | PRKCA (0.75) | PRKCACYP19A1MMP2MMP3MMP9 | |
| SCHEMBL3366430 | 0.89 | MAOB (0.60) | PRKCACYP19A1MMP9MMP13AKR1B1 | |
| SCHEMBL28390903 | 0.86 | PRKCA (0.68) | PRKCACYP19A1MMP2MMP3MMP9 | |
| SCHEMBL13208123 | 0.85 | PRKCA (0.67) | PRKCACYP19A1MMP2MMP3MMP9 | |
| SCHEMBL30214379 | 0.85 | PRKCA (0.67) | PRKCACYP19A1MMP2MMP3MMP9 | |
| SCHEMBL27729071 | 0.85 | PRKCA (0.67) | PRKCACYP19A1MMP2MMP3MMP9 | |
| SCHEMBL29456792 | 0.85 | PRKCA (0.67) | PRKCACYP19A1MMP2MMP3MMP9 | |
| SCHEMBL30786626 | 0.85 | PRKCA (0.53) | PRKCACYP19A1MMP2MMP3MMP9 | |
| SCHEMBL30786637 | 0.84 | PRKCA (0.52) | PRKCACYP19A1MMP2MMP3MMP9 | |
| SCHEMBL30786642 | 0.84 | CA9 (0.57) | PRKCACYP19A1TDP1CYP3A4LDHA |
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-108033984-B | Caffeic acid glucoside compound, preparation method and application thereof | 云南中烟工业有限责任公司 | 2020-10-20 | — | — | CN | disclosed |