Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 3/20 | 0.33 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MERTK | Q12866 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL9104029 | 0.82 | APP (0.44) | CYP1A2APPBCHEACHEPDE4A | |
| Sulfuric Acid SCHEMBL9102371 | 0.76 | CA1 (0.41) | APPBCHEACHEPDE4APDE4B | |
| Sulfuric Acid SCHEMBL9102382 | 0.74 | CA1 (0.42) | APPBCHEACHEHTTLMNA | |
| SCHEMBL9106762 | 0.68 | APP (0.48) | APPBCHEACHEALDH1A1HTT | |
| SCHEMBL9104042 | 0.66 | HTT (0.38) | BCHEALDH1A1L3MBTL1HTTSMN1; SMN2 | |
| SCHEMBL9103232 | 0.65 | APP (0.42) | CYP1A2CYP2D6APPBCHEACHE | |
| Sulfuric Acid SCHEMBL9105681 | 0.63 | CA1 (0.44) | APPBCHEACHESMN1; SMN2 | |
| Sulfuric Acid SCHEMBL9105688 | 0.61 | CA1 (0.45) | APPBCHEACHEALDH1A1HTT | |
| SCHEMBL29151842 | 0.61 | APP (0.49) | CYP1A2APPBCHEACHEHTT | |
| SCHEMBL10872451 | 0.60 | BCHE (0.42) | BCHEL3MBTL1HTTSMN1; SMN2HTR1A |
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-2013181217-A2 | NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES | GALLEON PHARMACEUTICALS, INC. (US) | 2013-12-05 | — | — | WO | disclosed |