Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ATM | Q13315 | 3/20 | 0.40 |
| ▸ | METAP1 | P53582 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4619708 | 0.87 | CYP19A1 (0.43) | CYP19A1MMP12METAP1CA1CA2 | |
| SCHEMBL4618757 | 0.75 | TSHR (0.47) | CYP19A1CA1CA2CA7CA9 | |
| SCHEMBL4622838 | 0.73 | SIRT2 (0.35) | METAP1ADRA2AKMT2A | |
| SCHEMBL4619427 | 0.73 | PARP11 (0.38) | KMT2AMEN1 | |
| SCHEMBL9388759 | 0.72 | KDM4E (0.54) | CYP19A1MMP12KDM4EATMHTT | |
| SCHEMBL2155247 | 0.71 | PRKCA (0.40) | CYP19A1MMP12KDM4EATMHTT | |
| SCHEMBL2155244 | 0.71 | MEN1 (0.43) | CYP19A1MMP12KDM4EATMHTT | |
| SCHEMBL4618571 | 0.70 | CYP19A1 (0.47) | CYP19A1KDM4EMETAP1CA1CA2 | |
| SCHEMBL95448 | 0.69 | MMP12 (0.51) | CYP19A1MMP12KDM4EATMHTT | |
| SCHEMBL4618514 | 0.69 | MAPT (0.45) | KDM4EHTTCA2CA9KMT2A |
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 |