Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2162408 | 0.80 | ALDH1A1 (0.32) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL7777005 | 0.79 | TDP1 (0.38) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL172379 | 0.79 | TDP1 (0.38) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL18553316 | 0.79 | TDP1 (0.38) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL25603259 | 0.73 | ALDH1A1 (0.31) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL6879408 | 0.73 | ALDH1A1 (0.37) | ALDH1A1TSHR | |
| SCHEMBL24349596 | 0.72 | — | — | |
| SCHEMBL2735830 | 0.72 | — | — | |
| SCHEMBL22705602 | 0.70 | — | — | |
| SCHEMBL22642529 | 0.70 | TSHR (0.32) | ALDH1A1TP53HSP90AA1CYP3A4THRB |
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-3156410-A1 | POLYENE MACROLIDE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-04-19 | — | — | EP | disclosed |