Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15903847 | 0.77 | CYP1A2 (0.46) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL946895 | 0.77 | GAA (0.52) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL10056290 | 0.77 | GAA (0.46) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL8297995 | 0.75 | GAA (0.67) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL9711618 | 0.74 | GAA (0.48) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL12106047 | 0.74 | GAA (0.43) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL9304443 | 0.74 | GAA (0.52) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL17694764 | 0.72 | GAA (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL16268161 | 0.71 | GAA (0.48) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL27739603 | 0.69 | PKM (0.50) | GAAMGAMSIMGAM2ALDH1A1 |
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-2018026371-A1 | DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2018-02-08 | — | — | WO | disclosed |