Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10246205 | 0.89 | NPC1 (0.56) | NPC1LMNAALDH1A1SMN1; SMN2GAA | |
| SCHEMBL3442239 | 0.89 | NPC1 (0.54) | NPC1LMNAALDH1A1SMN1; SMN2GAA | |
| SCHEMBL3442240 | 0.88 | NPC1 (0.51) | NPC1LMNAALDH1A1SMN1; SMN2GAA | |
| SCHEMBL10246209 | 0.87 | NPC1 (0.48) | NPC1LMNAALDH1A1SMN1; SMN2GAA | |
| SCHEMBL701075 | 0.87 | NPC1 (0.52) | NPC1LMNAALDH1A1SMN1; SMN2GAA | |
| SCHEMBL10246208 | 0.84 | NPC1 (0.51) | NPC1LMNAALDH1A1SMN1; SMN2GAA | |
| SCHEMBL13673252 | 0.74 | NPC1 (0.46) | NPC1LMNAALDH1A1SMN1; SMN2GAA | |
| SCHEMBL4345303 | 0.74 | NPC1 (0.39) | NPC1LMNAALDH1A1SMN1; SMN2GAA | |
| SCHEMBL2200125 | 0.73 | TSHR (0.46) | NPC1LMNAALDH1A1L3MBTL1NPSR1 | |
| SCHEMBL2200120 | 0.73 | TSHR (0.46) | NPC1LMNAALDH1A1L3MBTL1NPSR1 |
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-2009115257-A1 | SUBSTITUTED SULFONAMIDE DERIVATIVES | Grünenthal GmbH (DE) | 2009-09-24 | — | — | WO | disclosed |