Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24801905 | 0.78 | SIGMAR1 (0.51) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL29156328 | 0.78 | SIGMAR1 (0.51) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL24801949 | 0.78 | SIGMAR1 (0.51) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL3134881 | 0.76 | SIGMAR1 (0.56) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL30761091 | 0.74 | SIGMAR1 (0.46) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL336225 | 0.73 | SIGMAR1 (0.56) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL17608888 | 0.72 | CYP2D6 (0.61) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL4788065 | 0.71 | SIGMAR1 (0.46) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL24802827 | 0.71 | CYP2D6 (0.55) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL19320649 | 0.70 | MC4R (0.53) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 |
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-2022269508-A1 | PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN | NOVARTIS AG (CH) | 2022-12-29 | — | — | WO | disclosed |