Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8561833 | 0.81 | ESR1 (0.39) | ESR1ESR2BACE1 | |
| SCHEMBL8559203 | 0.79 | ESR1 (0.38) | ESR1ESR2BACE1 | |
| SCHEMBL8563246 | 0.73 | ESR1 (0.39) | ESR1ESR2BACE1 | |
| SCHEMBL8562057 | 0.73 | ESR1 (0.38) | ESR1ESR2 | |
| SCHEMBL8563245 | 0.71 | ESR1 (0.38) | ESR1ESR2BACE1 | |
| SCHEMBL8559199 | 0.71 | ESR1 (0.39) | ESR1ESR2BACE1 | |
| SCHEMBL8895852 | 0.70 | ESR1 (0.39) | ESR1ESR2 | |
| SCHEMBL8895858 | 0.70 | ESR1 (0.39) | ESR1ESR2 | |
| SCHEMBL8563251 | 0.68 | ESR1 (0.39) | ESR1ESR2 | |
| SCHEMBL8560714 | 0.68 | ESR1 (0.47) | ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5827849-A | HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT | KARL THOMAE GMBH (DE) | 1998-10-27 | — | — | US | disclosed |