Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 9/20 | 0.47 |
| ▸ | THRA | P10827 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | PNLIP | P16233 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20060900 | 0.96 | THRB (0.46) | THRBTHRAHTTRECQLHPGD | |
| SCHEMBL20060942 | 0.91 | THRB (0.43) | THRBTHRAHTTRECQLHPGD | |
| SCHEMBL20068690 | 0.85 | ALDH1A1 (0.41) | THRBTHRAHTTRECQLHPGD | |
| SCHEMBL22311333 | 0.81 | THRB (0.63) | THRBTHRAHTTRECQLALDH1A1 | |
| SCHEMBL20060891 | 0.77 | THRB (0.35) | THRBTHRAHPGDPOLBL3MBTL1 | |
| SCHEMBL22310588 | 0.76 | THRA (0.49) | THRBTHRAHTTHPGDPOLB | |
| SCHEMBL20061033 | 0.75 | THRB (0.44) | THRBTHRAHTTRECQLHPGD | |
| SCHEMBL20060898 | 0.73 | JAK2 (0.51) | HTTHPGDALDH1A1CYP3A4MEN1 | |
| SCHEMBL20061014 | 0.73 | CYP3A4 (0.44) | THRBTHRAHTTHPGDALDH1A1 | |
| SCHEMBL20060965 | 0.70 | THRB (0.50) | THRBTHRAHTTHPGDTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |