Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.58 |
| ▸ | TLR4 | O00206 | 1/20 | 0.57 |
| ▸ | CTSL | P07711 | 1/20 | 0.55 |
| ▸ | CTSB | P07858 | 1/20 | 0.55 |
| ▸ | CTSK | P43235 | 1/20 | 0.55 |
| ▸ | DPP4 | P27487 | 3/20 | 0.53 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | CPB1 | P15086 | 2/20 | 0.52 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3547532 | 1.00 | ALDH1A1 (0.68) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL29248519 | 1.00 | ALDH1A1 (0.68) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL1182961 | 1.00 | ALDH1A1 (0.68) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL14905635 | 1.00 | ALDH1A1 (0.68) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL2206808 | 0.92 | EPHX1 (0.62) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL21677225 | 0.92 | EPHX1 (0.62) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL15046804 | 0.92 | EPHX1 (0.66) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL22042534 | 0.92 | EPHX1 (0.62) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL19619011 | 0.92 | EPHX1 (0.62) | ALDH1A1GAATSHREPHX1TLR4 | |
| SCHEMBL851220 | 0.91 | ALDH1A1 (0.76) | ALDH1A1GAATSHREPHX1TLR4 |
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-1893212-A2 | MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE | Lexicon Pharmaceuticals, Inc. (US) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006124748-A2 | MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE | LEXICON GENETICS INCORPORATED (US) | 2006-11-23 | — | — | WO | disclosed |