Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.30 |
| ▸ | KEAP1 | Q14145 | 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 | |
|---|---|---|---|---|
| SCHEMBL23938466 | 0.79 | CES2 (0.47) | CES2CES1IDO1KEAP1 | |
| SCHEMBL24013508 | 0.75 | ALDH1A1 (0.46) | CES2CES1KEAP1 | |
| SCHEMBL24006621 | 0.68 | CES2 (0.47) | CES2CES1KEAP1 | |
| SCHEMBL27883251 | 0.67 | CES2 (0.50) | CES2CES1KEAP1 | |
| SCHEMBL24417687 | 0.66 | CYP11B1 (0.38) | — | |
| SCHEMBL1588995 | 0.66 | KEAP1 (0.53) | CES2CES1KEAP1 | |
| SCHEMBL5216286 | 0.64 | CES2 (0.47) | CES2CES1KEAP1 | |
| SCHEMBL29712378 | 0.64 | CES2 (0.38) | CES2CES1KEAP1 | |
| SCHEMBL16783453 | 0.64 | SLC6A4 (0.47) | CES2CES1 | |
| SCHEMBL31260970 | 0.63 | HDAC1 (0.38) | — |
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-2021226208-A2 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. (US) | 2021-11-11 | — | — | WO | disclosed |