Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.72 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.56 |
| ▸ | TNKS | O95271 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL31511409 | 1.00 | MAOB (0.72) | MAOBCA1CA2ALDH1A1KDM4E | |
| SCHEMBL7117813 | 0.89 | ALDH1A1 (0.64) | MAOBCA1CA2ALDH1A1KDM4E | |
| SCHEMBL31511410 | 0.87 | MAOB (0.60) | MAOBCA1CA2ALDH1A1KDM4E | |
| SCHEMBL1800595 | 0.86 | CA1 (0.56) | MAOBCA1CA2ALDH1A1KDM4E | |
| SCHEMBL7117556 | 0.85 | ALDH1A1 (0.67) | MAOBCA1CA2ALDH1A1KDM4E | |
| SCHEMBL7117054 | 0.85 | MAOB (0.72) | MAOBCA1CA2ALDH1A1KDM4E | |
| SCHEMBL28143005 | 0.85 | MAOB (0.72) | MAOBCA1CA2ALDH1A1KDM4E | |
| SCHEMBL8934624 | 0.85 | MAOB (0.60) | MAOBCA1CA2ALDH1A1KDM4E | |
| SCHEMBL31511407 | 0.85 | MAOB (0.71) | MAOBCA1CA2ALDH1A1KDM4E | |
| SCHEMBL7124521 | 0.85 | MAOB (0.71) | MAOBCA1CA2ALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1223928-A2 | USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS | Prendergast, Patrick Thomas (IE) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001003681-A2 | USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS | PRENDERGAST PATRICK T (IE) | 2001-01-18 | — | — | WO | disclosed |