Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.49 |
| ▸ | PREP | P48147 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29302825 | 1.00 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9AHTR2CCYP2C19 | |
| SCHEMBL29302842 | 1.00 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9AHTR2CCYP2C19 | |
| SCHEMBL221538 | 0.92 | PREP (0.55) | SMN1; SMN2NPC1RAB9APREP | |
| SCHEMBL221540 | 0.92 | PREP (0.55) | SMN1; SMN2NPC1RAB9APREP | |
| SCHEMBL221539 | 0.92 | PREP (0.55) | SMN1; SMN2NPC1RAB9APREP | |
| SCHEMBL12949951 | 0.91 | SMN1; SMN2 (0.51) | SMN1; SMN2NPC1RAB9AHTR2CCYP2C19 | |
| SCHEMBL29302823 | 0.90 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9AHTR2CCYP2C19 | |
| SCHEMBL29302841 | 0.90 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9AHTR2CCYP2C19 | |
| SCHEMBL19083887 | 0.88 | NPC1 (0.51) | SMN1; SMN2NPC1RAB9AHTR2CPREP | |
| SCHEMBL883433 | 0.88 | NPC1 (0.51) | SMN1; SMN2NPC1RAB9AHTR2CPREP |
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 |
|---|---|---|---|---|---|---|---|
| EP-1244621-B1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | HOFFMANN LA ROCHE (CH) | 2006-09-13 | — | — | EP | disclosed |