Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | AGXT | P21549 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17733174 | 1.00 | CYP3A4 (0.36) | CYP3A4ALDH1A1ALOX15TP53TSHR | |
| SCHEMBL12276790 | 1.00 | CYP3A4 (0.36) | CYP3A4ALDH1A1ALOX15TP53TSHR | |
| SCHEMBL12876631 | 0.85 | CYP3A4 (0.35) | CYP3A4ALDH1A1ALOX15TP53TSHR | |
| SCHEMBL13904105 | 0.84 | CYP3A4 (0.34) | CYP3A4ALDH1A1ALOX15TP53TSHR | |
| SCHEMBL13903894 | 0.84 | CYP3A4 (0.34) | CYP3A4ALDH1A1ALOX15TP53TSHR | |
| SCHEMBL15580615 | 0.83 | CYP3A4 (0.37) | CYP3A4ALDH1A1ALOX15TP53TSHR | |
| SCHEMBL12277413 | 0.83 | CYP3A4 (0.37) | CYP3A4ALDH1A1ALOX15TP53TSHR | |
| SCHEMBL15580592 | 0.83 | CYP3A4 (0.37) | CYP3A4ALDH1A1ALOX15TP53TSHR | |
| SCHEMBL15580613 | 0.79 | APLNR (0.32) | APLNR | |
| SCHEMBL12772109 | 0.79 | APLNR (0.32) | APLNR |
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-2231635-B1 | INTERMEDIATES AND METHODS FOR MAKING ZEARALENONE MACROLIDE ANALOGS | EISAI R&D MAN CO LTD (JP) | 2014-03-19 | — | — | EP | disclosed |