Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29156234 | 0.85 | SMN1; SMN2 (0.44) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL29156223 | 0.80 | MEN1 (0.47) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL29156283 | 0.80 | HTT (0.39) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL13156114 | 0.80 | MEN1 (0.44) | — | |
| SCHEMBL16903468 | 0.80 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1RAB9ACYP2C19HTR2C | |
| SCHEMBL29156273 | 0.78 | NPC1 (0.43) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL20598777 | 0.76 | SMN1; SMN2 (0.45) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL7399283 | 0.75 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL10698128 | 0.75 | HTR2C (0.43) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL23553476 | 0.75 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1RAB9ACYP2C19HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-117425649-A | Pyrazole derivatives as KRAS mutein inhibitors | 诺华股份有限公司 | 2024-01-19 | — | — | CN | disclosed |