Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.55 |
| ▸ | CA2 | P00918 | 5/20 | 0.55 |
| ▸ | CA9 | Q16790 | 5/20 | 0.55 |
| ▸ | CA12 | O43570 | 4/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 4/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11913948 | 0.81 | CA1 (0.64) | CA1CA2CA9CA12GLA | |
| SCHEMBL4860551 | 0.81 | LMNA (0.66) | CA1CA2CA9CA12GLA | |
| SCHEMBL11863715 | 0.80 | LMNA (0.69) | CA1CA2CA9CA12GLA | |
| SCHEMBL10286978 | 0.78 | GLA (0.67) | CA1CA2CA9CA12GLA | |
| SCHEMBL681530 | 0.77 | LMNA (0.73) | CA1CA2CA9CA12GLA | |
| SCHEMBL3767847 | 0.77 | GLA (0.65) | CA1CA2CA9CA12GLA | |
| SCHEMBL31018735 | 0.77 | CA1 (0.65) | CA1CA2CA9CA12GLA | |
| SCHEMBL13849447 | 0.76 | CA1 (0.68) | CA1CA2CA9CA12GLA | |
| SCHEMBL16063143 | 0.76 | GLA (0.68) | CA1CA2CA9CA12GLA | |
| SCHEMBL5145990 | 0.73 | CA1 (0.64) | CA1CA2CA9CA12GLA |
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 |
| WO-2012047993-A2 | N-HYDROXYPYRIMIDINE-2,4-DIONES AS INHIBITORS OF HIV AND HCV | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2012-04-12 | — | — | WO | disclosed |
| EP-2085394-A2 | Metronidazole derivatives as antiparasitic agents | Legal Affairs Office University of Jordan (JO) | 2009-08-05 | — | — | EP | disclosed |