Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.35 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 2/20 | 0.31 |
| ▸ | EDNRB | P24530 | 1/20 | 0.31 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.31 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.31 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.31 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.31 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.31 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 2/20 | 0.30 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.30 |
| ▸ | IDH1 | O75874 | 3/20 | 0.30 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL4620426 | 0.85 | PTPN1 (0.35) | PTPN1NQO1PARP11PTPN2PTPN6 | |
| SCHEMBL2156032 | 0.79 | PTPN1 (0.38) | PTPN1NQO1PTPN2PTPN6HMGB1 | |
| SCHEMBL4619425 | 0.77 | PARP11 (0.38) | EDNRAEDNRBPARP11CALM1IDH1 | |
| SCHEMBL2156037 | 0.77 | PRKCA (0.36) | PTPN1EDNRAEDNRBIDH1 | |
| SCHEMBL2435285 | 0.64 | PTPN1 (0.37) | PTPN1NQO1PTPN2PTPN6CALM1 | |
| SCHEMBL8100218 | 0.61 | CALM1 (0.55) | NQO1CALM1HMGB1CXCL12IDH1 | |
| SCHEMBL28888543 | 0.60 | CALM1 (0.52) | PTPN1PTPN2PTPN6CALM1HMGB1 | |
| SCHEMBL27509240 | 0.60 | CALM1 (0.52) | CALM1IDH1 | |
| SCHEMBL9480008 | 0.60 | HMGB1 (0.55) | PTPN1NQO1PTPN2PTPN6CALM1 | |
| SCHEMBL10525358 | 0.59 | PARP11 (0.44) | PTPN1PARP11CALM1IDH1MAOB |
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 |