Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | EBP | Q15125 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | GHSR | Q92847 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12072305 | 0.90 | ESR1 (0.47) | ESR1MAOAMAOBMPOCYP19A1 | |
| SCHEMBL15263129 | 0.90 | ESR1 (0.47) | ESR1MAOAMAOBMPOCYP19A1 | |
| SCHEMBL9995589 | 0.87 | MAPK14 (0.39) | ESR1MAOAMAOBMPOHTR2A | |
| SCHEMBL3849269 | 0.84 | ESR1 (0.57) | ESR1MAOAMAOBMPOEBP | |
| SCHEMBL3847255 | 0.84 | ESR1 (0.52) | ESR1MPOCYP19A1CYP11B2PTGS1 | |
| SCHEMBL15028586 | 0.83 | ESR1 (0.50) | ESR1MPOCYP19A1CYP11B2PTGS1 | |
| SCHEMBL15028666 | 0.83 | ESR1 (0.50) | ESR1MPOCYP19A1CYP11B2PTGS1 | |
| SCHEMBL9995795 | 0.82 | ESR1 (0.42) | ESR1MPOCYP19A1CYP11B2EBP | |
| SCHEMBL12072291 | 0.80 | ESR1 (0.43) | ESR1MAOAMAOBMPOCYP19A1 | |
| SCHEMBL9995705 | 0.80 | ESR1 (0.43) | ESR1CYP19A1CYP11B2PTGS1PTGS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2585435-A1 | 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCTION OF MEDICAMENTS | Bayer Intellectual Property GmbH (DE) | 2013-05-01 | — | — | EP | disclosed |
| WO-2011161101-A1 | 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCTION OF MEDICAMENTS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-12-29 | — | — | WO | disclosed |