Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | CA2 | P00918 | 5/20 | 0.45 |
| ▸ | CA9 | Q16790 | 5/20 | 0.45 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TYMS | P04818 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | GUSB | P08236 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4269303 | 0.89 | CYP2D6 (0.51) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL8515795 | 0.73 | ALDH1A1 (0.47) | ALDH1A1GAASMN1; SMN2CA1CA2 | |
| SCHEMBL9612686 | 0.72 | MAOB (0.56) | ALDH1A1GAASMN1; SMN2RAB9ALMNA | |
| SCHEMBL4264436 | 0.72 | CA1 (0.55) | ALDH1A1SMN1; SMN2CA1CA2CA9 | |
| SCHEMBL7948094 | 0.71 | CA1 (0.65) | ALDH1A1GAASMN1; SMN2CA1CA2 | |
| SCHEMBL7941864 | 0.70 | CA1 (0.64) | ALDH1A1GAASMN1; SMN2CA1CA2 | |
| SCHEMBL8514476 | 0.69 | LMNA (0.47) | ALDH1A1GAASMN1; SMN2CA1CA2 | |
| SCHEMBL4266422 | 0.69 | EGFR (0.45) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL9612685 | 0.68 | ALDH1A1 (0.52) | ALDH1A1GAACA1CA2CA9 | |
| SCHEMBL12369632 | 0.68 | CA1 (0.68) | ALDH1A1GAASMN1; SMN2CA1CA2 |
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 |