Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 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 | |
|---|---|---|---|---|
| SCHEMBL20233500 | 0.82 | GRM5 (0.36) | GRM5KCNH3GABRA1GABRG2GABRB3 | |
| SCHEMBL28267948 | 0.81 | KCNH3 (0.36) | GRM5KCNH3GRIN1GRIN2BGABRA1 | |
| SCHEMBL874832 | 0.76 | SMN1; SMN2 (0.42) | ALDH1A1SYKAURKBINCENPRAB9A | |
| SCHEMBL28266378 | 0.76 | NAMPT (0.39) | GRM5KCNH3GABRA1GABRG2GABRB3 | |
| SCHEMBL18431119 | 0.76 | GRM5 (0.43) | GRM5KCNH3GRIN1GRIN2BGABRA1 | |
| SCHEMBL30960194 | 0.75 | KCNH3 (0.38) | KCNH3GRIN1GRIN2BHSP90AA1LOXL2 | |
| SCHEMBL28025302 | 0.75 | KCNH3 (0.38) | KCNH3GRIN1GRIN2BHSP90AA1LOXL2 | |
| Bromide SCHEMBL11114317 | 0.74 | GRM5 (0.40) | GRM5KCNH3GABRA1GABRG2GABRB3 | |
| SCHEMBL28159342 | 0.72 | ALDH1A1 (0.35) | ALDH1A1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL20002092 | 0.72 | RORC (0.33) | GRM5KCNH3GRIN1GRIN2BGABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105263923-B | Pyrimidine compounds and their use as gamma secretase modulators | 阿克图拉姆生命科学股份公司 | 2017-06-23 | — | — | CN | disclosed |