Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 12/20 | 0.79 |
| ▸ | THRB | P10828 | 12/20 | 0.79 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.53 |
| ▸ | RARB | P10826 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | RARA | P10276 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL15960542 | 0.90 | THRA (0.79) | THRATHRBHAO1RARBMEN1 | |
| SCHEMBL15190601 | 0.89 | THRA (1.00) | THRATHRBHAO1RARBMEN1 | |
| SCHEMBL28950409 | 0.87 | THRA (0.80) | THRATHRBHAO1HSD17B3RARB | |
| SCHEMBL10551406 | 0.87 | THRA (0.97) | THRATHRBHAO1RARBMEN1 | |
| SCHEMBL83484 | 0.86 | THRA (0.68) | THRATHRBHAO1L3MBTL1HSD17B3 | |
| SCHEMBL8971789 | 0.83 | THRA (0.60) | THRATHRBHAO1L3MBTL1HSD17B3 | |
| SCHEMBL8971794 | 0.83 | THRA (0.60) | THRATHRBHAO1L3MBTL1HSD17B3 | |
| SCHEMBL11440891 | 0.83 | THRA (0.79) | THRATHRBHAO1HSD17B3RARB | |
| SCHEMBL11490234 | 0.82 | THRA (0.77) | THRATHRBHAO1L3MBTL1HSD17B3 | |
| SCHEMBL7934415 | 0.82 | THRA (0.77) | THRATHRBHAO1L3MBTL1HSD17B3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111057696-B | Hydroxynitrile lyase mutant and application thereof in synthesis of (R) -salmeterol | 华东理工大学 | 2022-11-11 | — | — | CN | disclosed |
| CN-111057696-A | Hydroxynitrile lyase mutant and application thereof in synthesis of (R) -salmeterol | 华东理工大学 | 2020-04-24 | — | — | CN | disclosed |