Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2018223 | 0.86 | ADORA2A (0.40) | SMN1; SMN2TP53MAPTPKMNPC1 | |
| SCHEMBL12636281 | 0.85 | SMN1; SMN2 (0.38) | SMN1; SMN2TP53MAPTPKMNPC1 | |
| SCHEMBL12635938 | 0.85 | MAPT (0.46) | MAPTNPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL2016915 | 0.82 | MAPT (0.46) | SMN1; SMN2MAPTNPC1RAB9ACYP1A2 | |
| SCHEMBL2015349 | 0.82 | HTT (0.57) | SMN1; SMN2TP53GAAMEN1KMT2A | |
| SCHEMBL2017353 | 0.81 | MAPT (0.52) | MAPTNPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL12635742 | 0.81 | CHEK2 (0.41) | SMN1; SMN2TP53MAPTPKMNPC1 | |
| SCHEMBL12635737 | 0.80 | APAF1 (0.41) | SMN1; SMN2MAPTPKMNPC1RAB9A | |
| SCHEMBL2016440 | 0.79 | ALDH1A1 (0.37) | SMN1; SMN2MAPTNPC1RAB9AGAA | |
| Iodide SCHEMBL2024368 | 0.79 | ALDH1A1 (0.36) | SMN1; SMN2MAPTNPC1RAB9AGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011079087-A1 | ENAC BLOCKERS | GLAXO GROUP LIMITED (GB) | 2011-06-30 | — | — | WO | disclosed |
| WO-2011079087-A1 | ENAC BLOCKERS | GLAXO GROUP LIMITED (GB) | 2011-06-30 | — | — | WO | disclosed |