Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | BCHE | P06276 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28022176 | 0.84 | BCHE (0.54) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL22806733 | 0.82 | BCHE (0.54) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL30266761 | 0.82 | BCHE (0.54) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL25196897 | 0.80 | BCHE (0.52) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL28140741 | 0.79 | MAPT (0.52) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL7197500 | 0.79 | BCHE (0.54) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL7197497 | 0.79 | BCHE (0.54) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL28870243 | 0.79 | NPC1 (0.55) | MAPTBCHENPC1RAB9ALMNA | |
| SCHEMBL8146123 | 0.75 | MAPT (0.59) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL7194858 | 0.74 | TNFRSF1A (0.59) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106565451-B | A kind of Chalcone Compounds with antibacterial activity, preparation method and application | 云南中烟工业有限责任公司 | 2019-02-19 | — | — | CN | claimed |
| CN-106565451-B | A kind of Chalcone Compounds with antibacterial activity, preparation method and application | 云南中烟工业有限责任公司 | 2019-02-19 | — | — | CN | disclosed |