Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.33 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10012497 | 0.91 | COMT (0.33) | COMTDGAT2ALDH1A1 | |
| SCHEMBL1654648 | 0.88 | CA1 (0.37) | COMTALDH1A1 | |
| SCHEMBL1654647 | 0.87 | CA1 (0.37) | ALDH1A1 | |
| SCHEMBL10012334 | 0.87 | COMT (0.33) | COMTALDH1A1 | |
| SCHEMBL1655563 | 0.84 | COMT (0.34) | COMTALDH1A1 | |
| SCHEMBL11903869 | 0.82 | CA1 (0.37) | COMTALDH1A1 | |
| SCHEMBL1655551 | 0.81 | AXL (0.35) | COMTDGAT2 | |
| SCHEMBL1654004 | 0.81 | AXL (0.35) | COMTDGAT2 | |
| SCHEMBL1654724 | 0.78 | COMT (0.36) | COMTALDH1A1 | |
| SCHEMBL12780362 | 0.77 | TDP1 (0.35) | COMTALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2675803-A1 | MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS | Elanco Animal Health Ireland Limited (IE) | 2013-12-25 | — | — | EP | disclosed |
| WO-2012112345-A1 | MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS | ELANCO ANIMAL HEALTH IRELAND LIMITED (US) | 2012-08-23 | — | — | WO | disclosed |
| EP-2488521-A1 | MACROCYCLIC INTEGRASE INHIBITORS | Elanco Animal Health Ireland Limited (IE) | 2012-08-22 | — | — | EP | disclosed |
| WO-2011045330-A1 | MACROCYCLIC INTEGRASE INHIBITORS | TIBOTEC PHARMACEUTICALS (IE) | 2011-04-21 | — | — | WO | disclosed |