Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 17/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11552831 | 0.94 | ESR1 (0.45) | ESR1ESR2HDAC6 | |
| SCHEMBL11549962 | 0.93 | ESR1 (0.46) | ESR1ESR2HDAC6 | |
| SCHEMBL11554260 | 0.89 | ESR1 (0.46) | ESR1ESR2 | |
| SCHEMBL11547279 | 0.87 | ESR1 (0.36) | ESR1ESR2ACHE | |
| SCHEMBL11551891 | 0.84 | ESR1 (0.41) | ESR1ESR2BCHEACHE | |
| SCHEMBL11547002 | 0.83 | ESR1 (0.47) | ESR1ESR2HDAC6BCHEACHE | |
| SCHEMBL11546723 | 0.83 | ESR1 (0.43) | ESR1ESR2BCHE | |
| SCHEMBL11547993 | 0.83 | ESR1 (0.47) | ESR1ESR2HDAC6BCHEACHE | |
| SCHEMBL11555582 | 0.81 | ESR1 (0.46) | ESR1ESR2BCHEACHE | |
| SCHEMBL11549848 | 0.80 | ESR1 (0.42) | 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-4133814-A | ANTITUMOR AGENTS | ELI LILLY AND COMPANY (US) | 1979-01-09 | — | — | US | disclosed |