Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL22310588 | 0.82 | THRA (0.49) | CYP3A4ALDH1A1THRATHRBHPGD | |
| SCHEMBL20060898 | 0.80 | JAK2 (0.51) | CYP3A4ALDH1A1HPGDHTTMAPT | |
| SCHEMBL22311333 | 0.79 | THRB (0.63) | ALDH1A1THRATHRBHTT | |
| SCHEMBL20068690 | 0.78 | ALDH1A1 (0.41) | CYP3A4ALDH1A1THRATHRBHPGD | |
| SCHEMBL20060965 | 0.77 | THRB (0.50) | ALDH1A1THRATHRBHPGDHTT | |
| SCHEMBL20060942 | 0.76 | THRB (0.43) | CYP3A4ALDH1A1THRATHRBHPGD | |
| SCHEMBL20060934 | 0.75 | THRA (0.39) | CYP3A4ALDH1A1THRATHRBHPGD | |
| SCHEMBL20068516 | 0.75 | ALDH1A1 (0.43) | CYP3A4ALDH1A1THRATHRBHPGD | |
| SCHEMBL20060900 | 0.74 | THRB (0.46) | CYP3A4ALDH1A1THRATHRBHPGD | |
| SCHEMBL20060899 | 0.73 | THRB (0.43) | CYP3A4ALDH1A1THRATHRBKMT2A |
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 |