Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.66 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA3 | P07451 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.53 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | NQO1 | P15559 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.46 |
| ▸ | TUBB | P07437 | 1/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL566348 | 0.87 | KDM4E (0.68) | KDM4EALDH1A1CA12CA1CA2 | |
| SCHEMBL5322782 | 0.81 | KDM4E (0.63) | KDM4EALDH1A1CA12CA1CA2 | |
| SCHEMBL11325086 | 0.80 | KDM4E (0.61) | KDM4EALDH1A1CA12CA1CA2 | |
| SCHEMBL29433694 | 0.80 | TSHR (0.47) | KDM4EALDH1A1HPGDMAPTNPC1 | |
| SCHEMBL4762078 | 0.80 | KDM4E (1.00) | KDM4EALDH1A1CA12CA1CA2 | |
| SCHEMBL6243382 | 0.80 | KDM4E (0.73) | KDM4EALDH1A1CA12CA1CA2 | |
| SCHEMBL10372134 | 0.80 | KDM4E (0.73) | KDM4EALDH1A1CA12CA1CA2 | |
| SCHEMBL28719424 | 0.80 | TSHR (0.47) | KDM4EALDH1A1HPGDMAPTNPC1 | |
| Hydrochloric Acid SCHEMBL11748562 | 0.78 | KDM4E (0.97) | KDM4EALDH1A1CA12CA1CA2 | |
| SCHEMBL1864115 | 0.76 | ALDH1A1 (0.60) | KDM4EALDH1A1CA12CA1CA2 |
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 |