Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.37 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3927689 | 0.83 | ALDH1A1 (0.42) | CYP2A6CYP19A1GRM5LMNAALDH1A1 | |
| SCHEMBL9548473 | 0.82 | CYP2A6 (0.50) | CYP2A6TYMSLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL17397891 | 0.78 | LMNA (0.44) | LMNASMN1; SMN2ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL30849345 | 0.76 | DDAH1 (0.46) | CYP2A6CYP19A1LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL11479924 | 0.76 | DDAH1 (0.46) | CYP2A6CYP19A1LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL28034439 | 0.74 | DDAH1 (0.64) | CYP2A6CYP19A1TYMSLMNASMN1; SMN2 | |
| SCHEMBL13868442 | 0.71 | CYP2A6 (0.62) | CYP2A6CYP19A1LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL8736791 | 0.70 | SMN1; SMN2 (0.43) | CYP2A6TYMSGRM5SMN1; SMN2MAPT | |
| SCHEMBL17233525 | 0.70 | MEN1 (0.55) | CYP2A6LMNAALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL11111047 | 0.69 | NR1H2 (0.56) | CYP2A6CYP19A1LMNAALDH1A1CYP3A4 |
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-2016001341-A1 | SULFONYLAMINOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2016-01-07 | — | — | WO | disclosed |
| WO-2016001341-A1 | SULFONYLAMINOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2016-01-07 | — | — | WO | disclosed |