Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 8/20 | 0.38 |
| ▸ | BTK | Q06187 | 5/20 | 0.38 |
| ▸ | VNN1 | O95497 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | TXK | P42681 | 1/20 | 0.31 |
| ▸ | F13A1 | P00488 | 1/20 | 0.30 |
| ▸ | TGM2 | P21980 | 1/20 | 0.30 |
| ▸ | TGM1 | P22735 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24695067 | 1.00 | JAK3 (0.38) | JAK3BTKVNN1CYP2C8KCNH2 | |
| SCHEMBL23323372 | 0.87 | JAK3 (0.38) | JAK3BTKSRC | |
| SCHEMBL19779512 | 0.78 | ATM (0.38) | VNN1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL14590368 | 0.78 | ATM (0.38) | VNN1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL13207005 | 0.78 | ATM (0.38) | VNN1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL610766 | 0.78 | VNN1 (0.37) | VNN1KCNH2CHRM2CHRM4CHRM5 | |
| SCHEMBL23404413 | 0.78 | VNN1 (0.37) | VNN1KCNH2CHRM2CHRM4CHRM5 | |
| SCHEMBL27006946 | 0.78 | VNN1 (0.37) | VNN1KCNH2CHRM2CHRM4CHRM5 | |
| SCHEMBL21884822 | 0.78 | VNN1 (0.37) | VNN1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL27384279 | 0.78 | ATM (0.38) | VNN1CHRM2CHRM4CHRM5CHRM1 |
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-2021086833-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT | MERCK SHARP & DOHME CORP. (US) | 2021-05-06 | — | — | WO | disclosed |