Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.61 |
| ▸ | CA2 | P00918 | 5/20 | 0.61 |
| ▸ | CA9 | Q16790 | 3/20 | 0.61 |
| ▸ | MPO | P05164 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | KDM5A | P29375 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | OGG1 | O15527 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28587714 | 0.81 | CA1 (0.58) | CA1CA2CA9MPOCYP3A4 | |
| SCHEMBL12169130 | 0.80 | CA1 (0.59) | CA1CA2CA9HIF1AMAPT | |
| SCHEMBL24495645 | 0.80 | CA2 (0.55) | CA1CA2CA9CYP3A4BLM | |
| SCHEMBL343630 | 0.78 | MPO (0.80) | CA1CA2CA9MPOCYP3A4 | |
| SCHEMBL2678949 | 0.78 | MPO (0.80) | CA1CA2CA9MPOCYP3A4 | |
| SCHEMBL6171743 | 0.78 | KMT2A (0.57) | CA1CA2CA9MAPTALDH1A1 | |
| SCHEMBL22193540 | 0.78 | LOXL2 (0.62) | CA1CA2CA9CYP3A4HIF1A | |
| SCHEMBL11139882 | 0.77 | MPO (0.64) | CA1CA2CA9MPOCYP3A4 | |
| SCHEMBL28188923 | 0.76 | MPO (0.76) | CA1CA2CA9MPOCYP3A4 | |
| SCHEMBL4616920 | 0.76 | CA2 (1.00) | CA1CA2CA9KDM4ECA5A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421528-A1 | COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES | Institute for OneWorld Health (US) | 2012-02-29 | — | — | EP | disclosed |