Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.68 |
| ▸ | CES1 | P23141 | 3/20 | 0.68 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL198842 | 0.92 | CES2 (0.73) | CES2CES1TSHRALOX15MAPK1 | |
| SCHEMBL28735064 | 0.92 | CES2 (0.73) | CES2CES1TSHRALOX15MAPK1 | |
| SCHEMBL15392605 | 0.85 | CES2 (0.60) | CES2CES1GSK3BSRD5A2 | |
| SCHEMBL9420031 | 0.83 | CES2 (0.71) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL10766826 | 0.82 | CES2 (0.55) | CES2CES1TSHRALOX15MAPK1 | |
| SCHEMBL10765485 | 0.82 | CES2 (0.55) | CES2CES1SRD5A2ALDH1A1LMNA | |
| SCHEMBL273857 | 0.82 | CES2 (1.00) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL2081411 | 0.82 | CES2 (0.52) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL5694641 | 0.81 | CYP1A2 (0.51) | CES2CES1CA1CA2MAPK1 | |
| SCHEMBL10647310 | 0.81 | ALOX15 (0.49) | CES2CES1ALOX15KDM4EALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8048647-A | — | — | None | — | — | JP | disclosed |
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| CN-1681763-A | Chemical compounds | ASTRAZENECA AB (SE) | 2005-10-12 | — | — | CN | disclosed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |
| JP-H0848647-A | PRODUCTION OF INDANONE DERIVATIVE | SUMITOMO CHEM CO LTD | 1996-02-20 | — | — | JP | disclosed |