Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | MC4R | P32245 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29156328 | 1.00 | SIGMAR1 (0.51) | SIGMAR1CYP2D6GAATSHRCYP3A4 | |
| SCHEMBL24801905 | 1.00 | SIGMAR1 (0.51) | SIGMAR1CYP2D6GAATSHRCYP3A4 | |
| SCHEMBL24801903 | 0.84 | SIGMAR1 (0.47) | SIGMAR1CYP2D6GAATSHRCYP3A4 | |
| SCHEMBL24801918 | 0.84 | SIGMAR1 (0.47) | SIGMAR1CYP2D6GAATSHRCYP3A4 | |
| SCHEMBL3134881 | 0.83 | SIGMAR1 (0.56) | SIGMAR1CYP2D6GAATSHRCYP3A4 | |
| SCHEMBL24802921 | 0.82 | SIGMAR1 (0.45) | SIGMAR1CYP2D6GAATSHRCYP3A4 | |
| SCHEMBL24802000 | 0.78 | SIGMAR1 (0.47) | SIGMAR1CYP2D6GAATSHRCYP3A4 | |
| SCHEMBL30761091 | 0.77 | SIGMAR1 (0.46) | SIGMAR1CYP2D6GAATSHRCYP3A4 | |
| SCHEMBL24803408 | 0.77 | SIGMAR1 (0.49) | SIGMAR1CYP2D6GAATSHRCYP3A4 | |
| SCHEMBL24802024 | 0.77 | SIGMAR1 (0.49) | SIGMAR1CYP2D6GAATSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117425649-A | Pyrazole derivatives as KRAS mutein inhibitors | 诺华股份有限公司 | 2024-01-19 | — | — | CN | disclosed |
| WO-2022269508-A1 | PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN | NOVARTIS AG (CH) | 2022-12-29 | — | — | WO | disclosed |