Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.75 |
| ▸ | ESR2 | Q92731 | 14/20 | 0.75 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.61 |
| ▸ | UBE2N | P61088 | 1/20 | 0.60 |
| ▸ | F2 | P00734 | 1/20 | 0.57 |
| ▸ | LTA4H | P09960 | 1/20 | 0.56 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.55 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL11598992 | 0.91 | ESR1 (0.63) | ESR1ESR2ITGA4UBE2NF2 | |
| SCHEMBL11602238 | 0.90 | ESR1 (0.76) | ESR1ESR2UBE2NENPP3ENPP1 | |
| SCHEMBL11599867 | 0.88 | ESR1 (0.70) | ESR1ESR2LTA4HENPP3ENPP1 | |
| SCHEMBL4651940 | 0.86 | ESR1 (0.98) | ESR1ESR2F2ENPP3ENPP1 | |
| SCHEMBL7409821 | 0.86 | ESR1 (0.98) | ESR1ESR2F2ENPP3ENPP1 | |
| SCHEMBL4650742 | 0.86 | ESR1 (1.00) | ESR1ESR2F2ENPP3ENPP1 | |
| SCHEMBL6595006 | 0.86 | ESR1 (1.00) | ESR1ESR2F2ENPP3ENPP1 | |
| SCHEMBL11600588 | 0.85 | ESR1 (0.64) | ESR1ESR2ITGA4UBE2NF2 | |
| SCHEMBL11600427 | 0.84 | UBE2N (0.62) | ESR1ESR2ITGA4UBE2N | |
| SCHEMBL11602157 | 0.84 | ITGA4 (0.60) | ESR1ESR2ITGA4UBE2NF2 |
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-4075227-A | NONSTEROIDAL | ELI LILLY AND COMPANY (US) | 1978-02-21 | — | — | US | disclosed |