Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.40 |
| ▸ | TTR | P02766 | 2/20 | 0.39 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.39 |
| ▸ | F3 | P13726 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7160152 | 1.00 | GSR (0.50) | GSRCYP1A2CYP2C9CYP2D6CYP3A4 | |
| SCHEMBL7163064 | 0.88 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6 | |
| SCHEMBL6852840 | 0.88 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6 | |
| SCHEMBL29428453 | 0.80 | PYGL (0.57) | GSRCYP1A2CYP2C9CYP2D6CYP3A4 | |
| SCHEMBL6023835 | 0.79 | PKM (0.55) | CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6 | |
| SCHEMBL6023839 | 0.79 | PKM (0.55) | CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6 | |
| SCHEMBL28993502 | 0.78 | CYP1A2 (0.79) | CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6 | |
| SCHEMBL6853027 | 0.74 | TTR (0.44) | CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6 | |
| SCHEMBL3335463 | 0.74 | CYP1A2 (0.81) | CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6 | |
| SCHEMBL3335467 | 0.74 | CYP1A2 (0.81) | CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6541672-B1 | Showing anti-bacterial, antioxidant, and anti-inflammatory activities that enable them to be used for drugs | FACULTY OF PHARMACY, THE UNIVERSITY OF GADJAH MADA (ID) | 2003-04-01 | — | — | US | disclosed |