Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.80 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.80 |
| ▸ | AR | P10275 | 3/20 | 0.53 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | VDR | P11473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12588047 | 0.89 | ESR1 (1.00) | ESR1ESR2ARKLF10BACE1 | |
| SCHEMBL1056559 | 0.83 | ESR1 (0.79) | ESR1ESR2ARVDR | |
| SCHEMBL30396162 | 0.78 | ALDH1A1 (0.54) | ESR1ESR2BACE1KDM4EALDH1A1 | |
| SCHEMBL82273 | 0.78 | ALDH1A1 (0.54) | ESR1ESR2BACE1KDM4EALDH1A1 | |
| SCHEMBL2949906 | 0.76 | ESR1 (0.67) | ESR1ESR2ARKLF10BACE1 | |
| SCHEMBL6439061 | 0.75 | ESR1 (0.72) | ESR1ESR2ARKLF10BACE1 | |
| SCHEMBL4399352 | 0.75 | ESR1 (0.72) | ESR1ESR2ARKLF10BACE1 | |
| SCHEMBL122862 | 0.74 | ESR1 (0.71) | ESR1ESR2ARKLF10BACE1 | |
| SCHEMBL8062965 | 0.74 | ESR1 (0.71) | ESR1ESR2ARKLF10BACE1 | |
| SCHEMBL1229448 | 0.74 | ESR1 (0.71) | ESR1ESR2ARKLF10BACE1 |
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-1675812-A2 | BRIDGED RING STRUCTURES AS PHARMACEUTICAL AGENTS | X-Ceptor Therapeutics, Inc. (US) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005037755-A2 | BRIDGED RING STRUCTURES AS PHARMACEUTICAL AGENTS | X-CEPTOR THERAPEUTICS, INC. (US) | 2005-04-28 | — | — | WO | disclosed |