Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 5/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | LIPE | Q05469 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20061075 | 0.96 | THRB (0.47) | THRBTHRAALDH1A1ALOX12HTT | |
| SCHEMBL20060942 | 0.92 | THRB (0.43) | THRBTHRAALDH1A1HTTRECQL | |
| SCHEMBL20068690 | 0.87 | ALDH1A1 (0.41) | THRBTHRAALDH1A1HTTRECQL | |
| SCHEMBL22311333 | 0.82 | THRB (0.63) | THRBTHRAALDH1A1HTTRECQL | |
| SCHEMBL22310588 | 0.76 | THRA (0.49) | THRBTHRAALDH1A1HTTHPGD | |
| SCHEMBL20061033 | 0.76 | THRB (0.44) | THRBTHRAALDH1A1ALOX12HTT | |
| SCHEMBL20060898 | 0.74 | JAK2 (0.51) | ALDH1A1HTTHPGDCYP3A4MAPT | |
| SCHEMBL20061014 | 0.74 | CYP3A4 (0.44) | THRBTHRAALDH1A1HTTHPGD | |
| SCHEMBL20060891 | 0.72 | THRB (0.35) | THRBTHRAHPGDPOLBL3MBTL1 | |
| SCHEMBL20060965 | 0.71 | THRB (0.50) | THRBTHRAALDH1A1HTTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018068295-A1 | ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |
| WO-2018071317-A1 | ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |