Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | VDR | P11473 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13709373 | 0.85 | VDR (0.39) | ESR1ESR2ARHDAC3HDAC6 | |
| SCHEMBL13709371 | 0.84 | ERAP1 (0.36) | ESR1ESR2ARHDAC3HDAC6 | |
| SCHEMBL13709377 | 0.84 | ESR1 (0.34) | ESR1ESR2ARHDAC3HDAC6 | |
| SCHEMBL13709359 | 0.83 | VDR (0.35) | ESR1ESR2ARHDAC3HDAC6 | |
| SCHEMBL13709292 | 0.81 | VDR (0.30) | VDR | |
| SCHEMBL13709322 | 0.81 | — | — | |
| SCHEMBL13709374 | 0.80 | VDR (0.40) | ARHDAC3HDAC6VDR | |
| SCHEMBL13709354 | 0.80 | VDR (0.41) | HDAC3HDAC6VDR | |
| SCHEMBL13709365 | 0.80 | HDAC3 (0.34) | ESR1ESR2ARHDAC3HDAC6 | |
| SCHEMBL13709345 | 0.78 | VDR (0.41) | HDAC3HDAC6VDR |
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-7595345-B2 | Vitamin D receptor modulators | ELI LILLY AND COMPANY (US) | 2009-09-29 | — | — | US | disclosed |
| US-7595345-B2 | Vitamin D receptor modulators | ELI LILLY AND COMPANY (US) | 2009-09-29 | — | — | US | disclosed |