Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | GSK3B | P49841 | 1/20 | 0.54 |
| ▸ | F3 | P13726 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL28566875 | 0.85 | CYP4F2 (0.54) | MAOBCYP4F2CYP4A11ALDH1A1GAA | |
| SCHEMBL28204954 | 0.84 | CYP1A1 (0.50) | ALDH1A1GAACYP1A2HDAC6NPC1 | |
| SCHEMBL8648429 | 0.83 | GSK3B (0.61) | GSK3BF3THRBATMALDH1A1 | |
| SCHEMBL94336 | 0.83 | LMNA (0.67) | GSK3BF3THRBATMCYP4F2 | |
| SCHEMBL13310485 | 0.83 | CYP4F2 (0.60) | GSK3BF3THRBATMCYP4F2 | |
| SCHEMBL28308489 | 0.82 | MAOB (0.48) | MAOBCYP4F2CYP4A11ALDH1A1LMNA | |
| SCHEMBL28307705 | 0.82 | MAPT (0.55) | L3MBTL1MAOBCYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL28307708 | 0.82 | MAPT (0.55) | MAOBCYP4F2CYP4A11GAALMNA | |
| SCHEMBL2998855 | 0.81 | PAM (0.61) | GSK3BF3THRBATMALDH1A1 | |
| SCHEMBL12480336 | 0.81 | F3 (0.62) | GSK3BF3THRBATMALDH1A1 |
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-109912418-B | Preparation method of trans-4-phenyl-3-ethyl crotonate compound | 大连理工大学 | 2021-04-20 | — | — | CN | disclosed |
| CN-109912418-A | A kind of preparation method of trans- -4- phenyl -3-butenoic acid ethyl ester compound | 大连理工大学 | 2019-06-21 | — | — | CN | disclosed |