Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4274127 | 0.89 | NPC1 (0.49) | KDM4EALDH1A1CA1CA2CA9 | |
| SCHEMBL4266422 | 0.80 | EGFR (0.45) | MAPTALDH1A1EGFRERBB2CA1 | |
| SCHEMBL9612686 | 0.77 | MAOB (0.56) | MAPTKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL4266423 | 0.72 | EGFR (0.40) | MAPTALDH1A1EGFRERBB2CA1 | |
| SCHEMBL4280875 | 0.71 | CA1 (0.51) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL9612685 | 0.71 | ALDH1A1 (0.52) | KDM4EALDH1A1HPGDEGFRERBB2 | |
| SCHEMBL28509796 | 0.71 | MAOB (0.56) | CYP2D6CYP19A1KDM4EALDH1A1HPGD | |
| SCHEMBL8515795 | 0.71 | ALDH1A1 (0.47) | KDM4EALDH1A1CA1CA2CA9 | |
| SCHEMBL5022816 | 0.69 | CYP2D6 (1.00) | CYP2D6CYP19A1KDM4EALDH1A1HPGD | |
| SCHEMBL4264436 | 0.69 | CA1 (0.55) | ALDH1A1EGFRERBB2CA1CA2 |
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-2085394-B1 | Metronidazole derivatives as antiparasitic agents | UNIV JORDAN (JO) | 2012-06-06 | — | — | EP | disclosed |
| EP-2085394-A2 | Metronidazole derivatives as antiparasitic agents | Legal Affairs Office University of Jordan (JO) | 2009-08-05 | — | — | EP | disclosed |
| EP-2085394-A2 | Metronidazole derivatives as antiparasitic agents | Legal Affairs Office University of Jordan (JO) | 2009-08-05 | — | — | EP | disclosed |