Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MELK | Q14680 | 4/20 | 0.34 |
| ▸ | SLC6A7 | Q99884 | 4/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4075757 | 1.00 | ESR2 (0.36) | ESR2ALDH1A1TSHRMELKSLC6A7 | |
| SCHEMBL3812208 | 0.90 | ALDH1A1 (0.44) | ALDH1A1TSHRSLC6A7SLC6A3MEN1 | |
| SCHEMBL3585104 | 0.83 | SLC6A7 (0.45) | ALDH1A1SLC6A7SLC6A3RPS6KB1AOC3 | |
| SCHEMBL4232315 | 0.83 | SLC6A7 (0.45) | ALDH1A1SLC6A7SLC6A3RPS6KB1AOC3 | |
| SCHEMBL3847460 | 0.83 | SLC6A7 (0.45) | ALDH1A1SLC6A7SLC6A3RPS6KB1AOC3 | |
| SCHEMBL4699362 | 0.76 | MELK (0.47) | MELKMEN1KMT2A | |
| SCHEMBL4078446 | 0.76 | ALDH1A1 (0.41) | ALDH1A1TSHRSLC6A7SLC6A3STAT3 | |
| SCHEMBL4234602 | 0.74 | SLC6A7 (0.50) | SLC6A7SLC6A3 | |
| SCHEMBL4234609 | 0.74 | SLC6A7 (0.50) | SLC6A7SLC6A3 | |
| SCHEMBL4497275 | 0.74 | SLC6A7 (0.50) | SLC6A7SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2084145-A2 | (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE | Lexicon Pharmaceuticals, Inc. (US) | 2009-08-05 | — | — | EP | claimed |
| WO-2008067120-A2 | (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE | LEXICON PHARMACEUTICALS, INC. (US) | 2008-06-05 | — | — | WO | claimed |