Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21357582 | 0.84 | ESR1 (0.44) | ESR1ESR2EPHX1HIF1ATAAR1 | |
| SCHEMBL3253687 | 0.83 | TAAR1 (0.52) | ESR1ESR2EPHX1HIF1ATAAR1 | |
| Paraben SCHEMBL10942097 | 0.83 | LMNA (0.53) | ESR1ESR2EPHX1CA2TSHR | |
| SCHEMBL28843880 | 0.83 | ESR1 (0.50) | ESR1ESR2HIF1ATAAR1HTR3A | |
| SCHEMBL15434362 | 0.82 | EPHX1 (0.43) | EPHX1 | |
| SCHEMBL16750534 | 0.82 | ALOX5 (0.46) | EPHX1LMNACYP2C19 | |
| SCHEMBL15434306 | 0.82 | EPHX1 (0.43) | EPHX1 | |
| SCHEMBL4943215 | 0.82 | LMNA (0.54) | ESR1ESR2EPHX1HIF1ATAAR1 | |
| SCHEMBL6359024 | 0.81 | EPHX1 (0.66) | EPHX1KDM4ELMNACYP1A2CHRM2 | |
| SCHEMBL23977 | 0.81 | EPHX1 (0.66) | EPHX1KDM4ELMNACYP1A2CHRM2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2139328-A2 | HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS | Janssen Pharmaceutica, N.V. (BE) | 2010-01-06 | — | — | EP | claimed |
| JP-2009508953-A | — | — | 2009-03-05 | — | — | JP | claimed |
| WO-2008115705-A2 | HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-09-25 | — | — | WO | claimed |
| EP-1937259-A1 | HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-07-02 | — | — | EP | claimed |
| WO-2007038036-A1 | HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2007-04-05 | — | — | WO | claimed |
| EP-2139328-A2 | HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS | Janssen Pharmaceutica, N.V. (BE) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008115705-A2 | HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-09-25 | — | — | WO | disclosed |
| EP-1937259-A1 | HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007038036-A1 | HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2007-04-05 | — | — | WO | disclosed |