Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.38 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | CETP | P11597 | 1/20 | 0.35 |
| ▸ | CCR9 | P51686 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.34 |
| ▸ | LPL | P06858 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5749376 | 0.87 | KDM4E (0.37) | CYP3A4KDM4EHSD17B10GRM4KCNQ3 | |
| SCHEMBL5751613 | 0.83 | KCNN4 (0.39) | KDM4ESMN1; SMN2ALDH1A1CES2LPL | |
| SCHEMBL5752174 | 0.83 | CES2 (0.37) | SMN1; SMN2CES2SIRT2SIRT1 | |
| SCHEMBL5750077 | 0.81 | CETP (0.38) | CYP3A4CETP | |
| SCHEMBL7116914 | 0.81 | CES2 (0.34) | KDM4EHSD17B10SMN1; SMN2ALDH1A1CES2 | |
| SCHEMBL5749040 | 0.75 | CYP3A4 (0.38) | CYP3A4KDM4EHSD17B10GRM4KCNQ3 | |
| SCHEMBL5749379 | 0.71 | KDM4E (0.38) | CYP3A4KDM4EHSD17B10GRM4KCNQ3 | |
| SCHEMBL6579476 | 0.70 | KCNN4 (0.40) | KDM4EALDH1A1 | |
| SCHEMBL5749152 | 0.70 | MDM2 (0.37) | — | |
| SCHEMBL5751187 | 0.69 | EGLN2 (0.35) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1362846-A1 | AMINOETHANOL DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2003-11-19 | — | — | EP | disclosed |