Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL4622838 | 0.80 | SIRT2 (0.35) | SIRT2ADRA2AKMT2APDE3BPDE3A | |
| SCHEMBL2155906 | 0.71 | SIRT2 (0.34) | SIRT2KMT2A | |
| SCHEMBL4619706 | 0.70 | CYP19A1 (0.43) | — | |
| SCHEMBL14883877 | 0.69 | SIRT2 (0.45) | SIRT2ADRA2APDE3BPDE3A | |
| SCHEMBL11352770 | 0.67 | SIRT2 (0.43) | SIRT2ADRA2AKMT2APDE3BPDE3A | |
| SCHEMBL4102418 | 0.59 | PDE3B (0.56) | PDE3BPDE3A | |
| SCHEMBL10177027 | 0.58 | KCNJ1 (0.42) | KMT2A | |
| SCHEMBL7837477 | 0.57 | TYMS (0.34) | KMT2A | |
| SCHEMBL6569375 | 0.57 | TSHR (0.36) | SIRT2KMT2APDE3BPDE3A | |
| SCHEMBL68914 | 0.57 | SIRT2 (0.44) | SIRT2 |
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-1888555-A2 | SUBSTITUTED BENZO-CONDENSED CYCLOHEXANONE DERIVATIVES AND THE USE THEREOF FOR MEDICAMENT PRODUCTION | Grünenthal GmbH (DE) | 2008-02-20 | — | — | EP | claimed |
| WO-2006122771-A2 | SUBSTITUTED BENZO-CONDENSED CYCLOHEXANONE DERIVATIVES AND THE USE THEREOF FOR MEDICAMENT PRODUCTION | Grünenthal GmbH (DE) | 2006-11-23 | — | — | WO | claimed |
| EP-1888555-A2 | SUBSTITUTED BENZO-CONDENSED CYCLOHEXANONE DERIVATIVES AND THE USE THEREOF FOR MEDICAMENT PRODUCTION | Grünenthal GmbH (DE) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006122771-A2 | SUBSTITUTED BENZO-CONDENSED CYCLOHEXANONE DERIVATIVES AND THE USE THEREOF FOR MEDICAMENT PRODUCTION | Grünenthal GmbH (DE) | 2006-11-23 | — | — | WO | disclosed |