Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 11/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.40 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.40 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | AKT2 | P31751 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL6074943 | 0.93 | ESR1 (0.47) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL6074940 | 0.93 | ESR1 (0.47) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5110186 | 0.87 | ESR1 (0.57) | ESR1ESR2HDAC2 | |
| SCHEMBL5110464 | 0.87 | ESR1 (0.57) | ESR1ESR2HDAC2 | |
| SCHEMBL14314213 | 0.85 | CA12 (0.44) | CA12CA1CA2TYRCA7 | |
| SCHEMBL14289689 | 0.85 | CA12 (0.44) | CA12CA1CA2TYRCA7 | |
| SCHEMBL6438798 | 0.85 | ESR1 (0.47) | ESR1ESR2AKT1AKT2HDAC2 | |
| SCHEMBL5117772 | 0.85 | ESR1 (0.57) | ESR1ESR2SLC6A3HDAC2 | |
| SCHEMBL5117765 | 0.85 | ESR1 (0.57) | ESR1ESR2SLC6A3HDAC2 | |
| SCHEMBL6437657 | 0.83 | ESR1 (0.43) | ESR1ESR2HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7323587-B2 | Selective estrogen receptor modulators | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2008-01-29 | — | — | US | disclosed |
| US-7323587-B2 | Selective estrogen receptor modulators | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2008-01-29 | — | — | US | disclosed |