Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.75 |
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.62 |
| ▸ | RECQL | P46063 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL10078758 | 1.00 | ALDH1A1 (0.75) | ALDH1A1GAASIGMAR1RECQLLMNA | |
| SCHEMBL21820680 | 0.98 | ALDH1A1 (0.72) | ALDH1A1GAASIGMAR1RECQLLMNA | |
| SCHEMBL8578107 | 0.93 | GAA (0.69) | ALDH1A1GAASIGMAR1LMNAHTT | |
| SCHEMBL9780583 | 0.91 | ALDH1A1 (0.67) | ALDH1A1GAASIGMAR1LMNAPKM | |
| SCHEMBL23683085 | 0.87 | GAA (0.61) | ALDH1A1GAASIGMAR1LMNAPKM | |
| SCHEMBL3019231 | 0.86 | SIGMAR1 (0.70) | ALDH1A1GAASIGMAR1CA12CA1 | |
| SCHEMBL7103280 | 0.85 | ALDH1A1 (0.72) | ALDH1A1GAALMNAHTTMAPK1 | |
| SCHEMBL7130425 | 0.85 | ALDH1A1 (0.60) | ALDH1A1RECQLLMNAHTTMAPK1 | |
| SCHEMBL8355315 | 0.85 | ALDH1A1 (0.72) | ALDH1A1GAALMNAHTTMAPK1 | |
| SCHEMBL634183 | 0.85 | ALDH1A1 (0.72) | ALDH1A1GAALMNAHTTMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |