Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | LGALS8 | O00214 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SLC13A5 | Q86YT5 | 4/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HMGCR | P04035 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6665252 | 1.00 | ALDH1A1 (0.54) | ALDH1A1LGALS8KDM4ELMNAMAPT | |
| SCHEMBL18585777 | 1.00 | ALDH1A1 (0.54) | ALDH1A1LGALS8KDM4ELMNAMAPT | |
| Citric Acid SCHEMBL45492 | 0.76 | ALDH1A1 (0.94) | ALDH1A1KDM4ELMNAMAPTALOX15 | |
| SCHEMBL27351141 | 0.75 | ALDH1A1 (0.65) | ALDH1A1KDM4ELMNAMAPTALOX15 | |
| SCHEMBL27588804 | 0.74 | ALDH1A1 (0.71) | ALDH1A1KDM4ELMNAMAPTALOX15 | |
| SCHEMBL27572383 | 0.74 | ALDH1A1 (0.71) | ALDH1A1KDM4ELMNAMAPTALOX15 | |
| SCHEMBL3417196 | 0.74 | ALDH1A1 (0.71) | ALDH1A1KDM4ELMNAMAPTALOX15 | |
| SCHEMBL934375 | 0.74 | ALDH1A1 (0.71) | ALDH1A1KDM4ELMNAMAPTALOX15 | |
| SCHEMBL144692 | 0.74 | ALDH1A1 (0.71) | ALDH1A1KDM4ELMNAMAPTALOX15 | |
| Citric Acid SCHEMBL28604832 | 0.73 | ALDH1A1 (0.88) | ALDH1A1KDM4ELMNAMAPTALOX15 |
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-2011146683-A1 | METHODS AND REAGENTS FOR METABOLOMICS AND HISTOLOGY IN A BIOLOGICAL SAMPLE AND A KIT FOR THE SAME | METABOLON, INC. (US) | 2011-11-24 | — | — | WO | disclosed |