Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4618601 | 0.80 | CA1 (0.38) | CA1CA2CA7CA9DAO | |
| SCHEMBL4622838 | 0.77 | SIRT2 (0.35) | ADRA2AKMT2A | |
| SCHEMBL4618757 | 0.72 | TSHR (0.47) | CA1CA2CA7CA9CYP2C19 | |
| SCHEMBL2155655 | 0.71 | APEX1 (0.37) | CA1CA2CA7CA9MAPT | |
| SCHEMBL2155661 | 0.70 | PRKCA (0.41) | CA1CA2CA7CA9MAPT | |
| SCHEMBL12178135 | 0.69 | PARP1 (0.54) | CA1CA2CA7CA9DAO | |
| SCHEMBL13742725 | 0.68 | CA1 (0.42) | CA1CA2CA7CA9DAO | |
| SCHEMBL19744350 | 0.67 | MAPT (0.43) | ADRA2AADRA2BADRA2CADRA1AMAPT | |
| SCHEMBL31170819 | 0.67 | MAPT (0.43) | ADRA2AADRA2BADRA2CADRA1AMAPT | |
| SCHEMBL4620985 | 0.67 | CYP19A1 (0.42) | CA1CA2CA7CA9ADRA2A |
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 |