Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 9/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.39 |
| ▸ | ICMT | O60725 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22630847 | 0.84 | AURKA (0.59) | AURKACES2EPHX1 | |
| SCHEMBL12895165 | 0.84 | AURKA (0.59) | AURKACES2EPHX1 | |
| SCHEMBL1226196 | 0.83 | CES2 (0.45) | AURKACES2 | |
| SCHEMBL1226200 | 0.83 | CES2 (0.45) | AURKACES2 | |
| SCHEMBL2692867 | 0.83 | CES2 (0.45) | AURKACES2 | |
| Hydrochloric Acid SCHEMBL6782896 | 0.82 | ALDH1A1 (0.40) | ALDH1A1TACR1CES2EPHX1ICMT | |
| SCHEMBL7386503 | 0.79 | CES2 (0.41) | ALDH1A1TACR1CES2EPHX1GAA | |
| SCHEMBL3143623 | 0.77 | CES2 (0.45) | AURKAALDH1A1TACR1CES2EPHX1 | |
| SCHEMBL2510406 | 0.77 | CES2 (0.45) | AURKAALDH1A1TACR1CES2EPHX1 | |
| SCHEMBL2486728 | 0.77 | CES2 (0.45) | AURKAALDH1A1TACR1CES2EPHX1 |
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-1524266-B1 | Pharmaceutical composition | GLAXO GROUP LTD (GB) | 2007-02-28 | — | — | EP | claimed |
| EP-2117562-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS | GLAXO GROUP LTD (GB) | 2011-10-26 | — | — | EP | disclosed |