Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 5/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3992083 | 0.81 | NR1I2 (0.46) | ALOX15ALDH1A1HSD17B10NR1I2LMNA | |
| SCHEMBL4657426 | 0.80 | KMT2A (0.38) | ACACBALDH1A1OPRK1MEN1KMT2A | |
| SCHEMBL4657437 | 0.80 | KMT2A (0.38) | ACACBALDH1A1OPRK1MEN1KMT2A | |
| SCHEMBL3987561 | 0.79 | MAPK1 (0.36) | ACACBOPRK1MEN1MAPK1KMT2A | |
| SCHEMBL3986499 | 0.79 | PTPRB (0.40) | ACACBALOX15ALOX12TP53LMNA | |
| SCHEMBL3987548 | 0.79 | ERCC1 (0.30) | RENERCC1ERCC4 | |
| SCHEMBL3988356 | 0.79 | — | — | |
| SCHEMBL3989338 | 0.78 | MMP1 (0.41) | ALDH1A1MEN1KMT2ALMNARAB9A | |
| SCHEMBL3988348 | 0.77 | PTPRB (0.32) | ALOX15ALOX12ALDH1A1HSD17B10HSP90AA1 | |
| SCHEMBL3988353 | 0.77 | MMP13 (0.36) | HSP90AA1HSP90AB1KDM4EMAPK1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1006122-B1 | PHENETHYLAMINE DERIVATIVES | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2008-12-03 | — | — | EP | disclosed |
| US-6255285-B1 | GASTROINTESTINAL DISORDERS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2001-07-03 | — | — | US | disclosed |
| EP-1006122-A1 | PHENETHYLAMINE DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2000-06-07 | — | — | EP | disclosed |