Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 17/20 | 0.70 |
| ▸ | ESR2 | Q92731 | 17/20 | 0.70 |
| ▸ | F2 | P00734 | 2/20 | 0.51 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.50 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.50 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9966980 | 1.00 | ESR1 (0.70) | ESR1ESR2F2PSMB1PSMB5 | |
| SCHEMBL9966976 | 0.99 | ESR1 (0.69) | ESR1ESR2F2PSMB1PSMB5 | |
| SCHEMBL9967001 | 0.97 | ESR1 (0.72) | ESR1ESR2F2PSMB1PSMB5 | |
| SCHEMBL9966998 | 0.97 | ESR1 (0.72) | ESR1ESR2F2PSMB1PSMB5 | |
| SCHEMBL9967000 | 0.96 | ESR1 (0.70) | ESR1ESR2F2PSMB1PSMB5 | |
| SCHEMBL9966887 | 0.94 | ESR1 (0.76) | ESR1ESR2F2PSMB1PSMB5 | |
| SCHEMBL9966884 | 0.94 | ESR1 (0.76) | ESR1ESR2F2PSMB1PSMB5 | |
| SCHEMBL9966881 | 0.93 | ESR1 (0.74) | ESR1ESR2F2PSMB1PSMB5 | |
| SCHEMBL9967059 | 0.92 | ESR1 (0.59) | ESR1ESR2F2 | |
| SCHEMBL9966977 | 0.91 | ESR1 (0.58) | ESR1ESR2F2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012079154-A1 | SELECTIVE ESTROGEN RECEPTOR MODULATORS | DALHOUSIE UNIVERSITY (CA) | 2012-06-21 | — | — | WO | disclosed |