Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | NPC1 | O15118 | 4/20 | 0.66 |
| ▸ | RAB9A | P51151 | 4/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL14441144 | 0.86 | HTT (0.60) | SMN1; SMN2CYP2D6NPC1RAB9AALDH1A1 | |
| SCHEMBL14441146 | 0.84 | HTT (0.63) | SMN1; SMN2CYP2D6NPC1RAB9AALDH1A1 | |
| SCHEMBL6387343 | 0.83 | CYP2D6 (1.00) | SMN1; SMN2CYP2D6NPC1RAB9AALDH1A1 | |
| SCHEMBL1477785 | 0.81 | SMN1; SMN2 (0.73) | SMN1; SMN2CYP2D6ALDH1A1KMT2AGAA | |
| SCHEMBL4961311 | 0.80 | SMN1; SMN2 (0.71) | SMN1; SMN2CYP2D6NPC1RAB9AALDH1A1 | |
| SCHEMBL28336050 | 0.80 | CYP2D6 (0.71) | SMN1; SMN2CYP2D6ALDH1A1LMNAKMT2A | |
| SCHEMBL3955220 | 0.79 | SMN1; SMN2 (0.71) | SMN1; SMN2CYP2D6ALDH1A1LMNAKMT2A | |
| SCHEMBL12090046 | 0.78 | LMNA (0.58) | NPC1RAB9AALDH1A1LMNAKMT2A | |
| SCHEMBL1258725 | 0.76 | CYP2D6 (0.67) | SMN1; SMN2CYP2D6ALDH1A1LMNAKMT2A | |
| SCHEMBL104961 | 0.76 | ALDH1A1 (0.71) | SMN1; SMN2NPC1RAB9AALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7253158-B2 | Sulfonamides | HOFFMANN-LA ROCHE INC. (US) | 2007-08-07 | — | — | US | disclosed |