Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SLC6A7 | Q99884 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 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 | |
|---|---|---|---|---|
| SCHEMBL3812208 | 0.83 | ALDH1A1 (0.44) | ALDH1A1TSHRMEN1KMT2ASLC6A7 | |
| SCHEMBL3832885 | 0.80 | HTR1A (0.41) | ALDH1A1TSHRMEN1KMT2ASLC6A7 | |
| SCHEMBL3585163 | 0.76 | SLC6A7 (0.56) | SLC6A7SLC6A3 | |
| SCHEMBL4488282 | 0.76 | SLC6A7 (0.56) | SLC6A7SLC6A3 | |
| SCHEMBL4074249 | 0.76 | SLC6A7 (0.56) | SLC6A7SLC6A3 | |
| SCHEMBL4234609 | 0.76 | SLC6A7 (0.50) | SLC6A7MALT1SLC6A3DPP4DPP8 | |
| SCHEMBL4075764 | 0.76 | ESR2 (0.36) | ALDH1A1TSHRMEN1KMT2ASLC6A7 | |
| SCHEMBL4234602 | 0.76 | SLC6A7 (0.50) | SLC6A7MALT1SLC6A3DPP4DPP8 | |
| SCHEMBL4497275 | 0.76 | SLC6A7 (0.50) | SLC6A7MALT1SLC6A3DPP4DPP8 | |
| SCHEMBL4075757 | 0.76 | ESR2 (0.36) | ALDH1A1TSHRMEN1KMT2ASLC6A7 |
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 | disclosed |
| 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 | disclosed |