Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.31 |
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
| ▸ | ADH4 | P08319 | 1/20 | 0.31 |
| ▸ | ADH7 | P40394 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24007853 | 0.82 | ADH1B (0.32) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL24007325 | 0.81 | TDP1 (0.32) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL20077356 | 0.81 | SAT1 (0.33) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL23367385 | 0.79 | ADH1B (0.31) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL24006739 | 0.78 | TDP1 (0.31) | — | |
| SCHEMBL24006728 | 0.75 | — | — | |
| SCHEMBL24006718 | 0.72 | ADH1B (0.33) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL21637093 | 0.72 | ADH1B (0.33) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL24007186 | 0.71 | — | — | |
| SCHEMBL24014824 | 0.70 | SAT1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021226208-A2 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. (US) | 2021-11-11 | — | — | WO | disclosed |
| WO-2021226269-A1 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. (US) | 2021-11-11 | — | — | WO | disclosed |