Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.44 |
| ▸ | AR | P10275 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CKS1B | P61024 | 1/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3393109 | 0.88 | ESR1 (0.53) | ESR1ESR2ARHDAC3HDAC6 | |
| SCHEMBL3392386 | 0.82 | ESR1 (0.40) | ESR1ESR2ARHDAC3HDAC6 | |
| SCHEMBL3394907 | 0.82 | HPGD (0.52) | ESR1ESR2ARHPGDALDH1A1 | |
| SCHEMBL13366689 | 0.78 | ESR1 (0.48) | ESR1HDAC3HDAC6VDR | |
| SCHEMBL13672861 | 0.77 | HDAC3 (0.37) | ESR1ESR2ARHDAC3HDAC6 | |
| SCHEMBL13366680 | 0.77 | HDAC3 (0.43) | HDAC3HDAC6HPGDALDH1A1VDR | |
| SCHEMBL3393336 | 0.77 | HDAC3 (0.54) | ARHDAC3HDAC6VDRL3MBTL1 | |
| SCHEMBL3391173 | 0.75 | HDAC3 (0.58) | ESR1ARHDAC3HDAC6VDR | |
| SCHEMBL3388734 | 0.75 | HDAC6 (0.45) | HDAC3HDAC6HPGDVDRL3MBTL1 | |
| SCHEMBL3396335 | 0.74 | ESR1 (0.57) | ESR1ESR2ARVDR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1511740-A1 | PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-03-09 | — | — | EP | disclosed |
| WO-2003101978-A1 | PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2003-12-11 | — | — | WO | disclosed |