Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.39 |
| ▸ | MAOB | P27338 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9136839 | 0.77 | PKM (0.47) | TSHRPKMCYP19A1MAOBALDH1A1 | |
| SCHEMBL1133012 | 0.77 | PKM (0.47) | TSHRPKMCYP19A1MAOBALDH1A1 | |
| SCHEMBL4618755 | 0.77 | TSHR (0.47) | TSHRPKMCYP19A1MAOBALDH1A1 | |
| SCHEMBL27403505 | 0.77 | PKM (0.47) | TSHRPKMCYP19A1MAOBALDH1A1 | |
| SCHEMBL29448029 | 0.77 | PKM (0.47) | TSHRPKMCYP19A1MAOBALDH1A1 | |
| SCHEMBL4619708 | 0.75 | CYP19A1 (0.43) | CYP19A1MAOBCA1CA2CA7 | |
| SCHEMBL4620985 | 0.75 | CYP19A1 (0.42) | CYP19A1MEN1CYP2C9KMT2ACA1 | |
| SCHEMBL4619427 | 0.75 | PARP11 (0.38) | MAOBALDH1A1MEN1KMT2A | |
| SCHEMBL29817549 | 0.73 | TSHR (0.43) | TSHRPKMCYP19A1MAOBALDH1A1 | |
| SCHEMBL3259535 | 0.73 | NPSR1 (0.40) | TSHRPKMCYP19A1MAOBALDH1A1 |
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 |