Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | GUSB | P08236 | 1/20 | 0.38 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4266422 | 0.78 | EGFR (0.45) | EGFRERBB2CA1CA2CA9 | |
| SCHEMBL4269303 | 0.72 | CYP2D6 (0.51) | EGFRERBB2CA1CA2CA9 | |
| SCHEMBL5332268 | 0.67 | LMNA (0.67) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL7948094 | 0.65 | CA1 (0.65) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL4274127 | 0.65 | NPC1 (0.49) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL7941864 | 0.64 | CA1 (0.64) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL29287384 | 0.64 | LMNA (0.65) | EGFRERBB2CA1CA2CA9 | |
| SCHEMBL30988938 | 0.63 | LMNA (0.60) | EGFRERBB2CA1CA2CA9 | |
| Carnidazole SCHEMBL637201 | 0.63 | LMNA (0.60) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL12369632 | 0.63 | CA1 (0.68) | CA1CA2CA9CA12ALDH1A1 |
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-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 |