Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 2/20 | 0.53 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9251206 | 0.80 | CYP3A4 (0.42) | CYP3A4KDM4ELMNAPOLBGAA | |
| SCHEMBL28301316 | 0.78 | PAM (0.57) | CYP3A4KDM4ELMNAPOLBGAA | |
| SCHEMBL13315664 | 0.78 | CYP4F2 (0.51) | CYP4F2CYP4A11KDM4ETTRBACE1 | |
| SCHEMBL4545299 | 0.76 | APP (0.67) | CYP3A4KDM4ELMNAPOLBGAA | |
| SCHEMBL2877458 | 0.75 | CYP4F2 (0.64) | CYP4F2CYP4A11TDP1CYP2C9CYP2C19 | |
| SCHEMBL2877454 | 0.75 | CYP4F2 (0.64) | CYP4F2CYP4A11TDP1CYP2C9CYP2C19 | |
| SCHEMBL10046727 | 0.73 | CYP4F2 (0.61) | CYP4F2CYP4A11BACE1CYP2C9CYP2D6 | |
| SCHEMBL30545082 | 0.73 | TTR (0.69) | CYP3A4KDM4ELMNAPOLBGAA | |
| SCHEMBL12672806 | 0.72 | CYP4F2 (0.65) | CYP4F2CYP4A11LMNANFKB1NFKB2 | |
| Nitrogen SCHEMBL29159384 | 0.72 | CYP4F2 (0.60) | CYP4F2CYP4A11TDP1CYP2C9CYP2C19 |
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-109912415-A | A kind of 2,2- dimethyl -4-(3,4,5- trihydroxy phenyl) -3-butenoic acid methyl compound and its application | 株洲千金药业股份有限公司 | 2019-06-21 | — | — | CN | claimed |
| CN-109912420-A | The preparation method of M Cr derivative | 株洲千金药业股份有限公司 | 2019-06-21 | — | — | CN | disclosed |