Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.74 |
| ▸ | ATM | Q13315 | 1/20 | 0.74 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.63 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.63 |
| ▸ | STAT3 | P40763 | 1/20 | 0.63 |
| ▸ | F3 | P13726 | 2/20 | 0.61 |
| ▸ | MAOB | P27338 | 4/20 | 0.58 |
| ▸ | GSK3B | P49841 | 2/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | BACE1 | P56817 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | BCHE | P06276 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.55 |
| ▸ | RELA | Q04206 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL1231600 | 0.98 | THRB (0.77) | THRBATMHDAC8HDAC6STAT3 | |
| SCHEMBL1231605 | 0.98 | THRB (0.77) | THRBATMHDAC8HDAC6STAT3 | |
| 4-Methoxycinnamic Acid SCHEMBL58699 | 0.85 | THRB (1.00) | THRBATMHDAC8HDAC6F3 | |
| 4-Methoxycinnamic Acid SCHEMBL58700 | 0.85 | THRB (1.00) | THRBATMHDAC8HDAC6F3 | |
| 4-Methoxycinnamic Acid SCHEMBL12473722 | 0.85 | THRB (1.00) | THRBATMHDAC8HDAC6F3 | |
| SCHEMBL25853466 | 0.85 | HDAC8 (0.66) | THRBATMHDAC8HDAC6STAT3 | |
| SCHEMBL2026113 | 0.84 | HDAC8 (0.65) | THRBATMHDAC8HDAC6STAT3 | |
| SCHEMBL2026112 | 0.84 | HDAC8 (0.65) | THRBATMHDAC8HDAC6STAT3 | |
| 4-Methoxycinnamic Acid SCHEMBL5330596 | 0.84 | THRB (0.96) | THRBATMHDAC8HDAC6F3 | |
| 4-Methoxycinnamic Acid SCHEMBL2298853 | 0.84 | THRB (0.96) | THRBATMHDAC8HDAC6F3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023131362-A1 | PHENYLPROPANOID DERIVATIVES | USTAV EXPERIMENTALNI BOTANIKY AV ČR, V. V. I. (CZ) | 2023-07-13 | — | — | WO | disclosed |