Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 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 | |
|---|---|---|---|---|
| SCHEMBL20060942 | 0.89 | THRB (0.43) | ALDH1A1THRBTHRACYP3A4HPGD | |
| SCHEMBL20060900 | 0.87 | THRB (0.46) | ALDH1A1THRBTHRACYP3A4HPGD | |
| SCHEMBL20061075 | 0.85 | THRB (0.47) | ALDH1A1THRBTHRACYP3A4HPGD | |
| SCHEMBL22310588 | 0.81 | THRA (0.49) | ALDH1A1THRBTHRACYP3A4HPGD | |
| SCHEMBL20060898 | 0.79 | JAK2 (0.51) | ALDH1A1CYP3A4HPGDHTTMAPT | |
| SCHEMBL20061014 | 0.78 | CYP3A4 (0.44) | ALDH1A1THRBTHRACYP3A4HPGD | |
| SCHEMBL22311333 | 0.78 | THRB (0.63) | ALDH1A1THRBTHRAHTTRECQL | |
| SCHEMBL20060965 | 0.75 | THRB (0.50) | ALDH1A1THRBTHRAHPGDHTT | |
| SCHEMBL18931065 | 0.75 | AVPR2 (0.46) | ALDH1A1THRBCYP3A4HPGDHTT | |
| SCHEMBL20068516 | 0.74 | ALDH1A1 (0.43) | ALDH1A1THRBTHRACYP3A4HPGD |
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-2018071317-A1 | ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |