Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 3/20 | 0.39 |
| ▸ | ADH1C | P00326 | 3/20 | 0.39 |
| ▸ | ADH1A | P07327 | 3/20 | 0.39 |
| ▸ | ADH7 | P40394 | 2/20 | 0.39 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23033424 | 0.91 | — | — | |
| SCHEMBL21746084 | 0.83 | EPHX1 (0.38) | — | |
| SCHEMBL24006562 | 0.77 | — | — | |
| SCHEMBL24014855 | 0.74 | ADH1B (0.39) | ADH1BADH1CADH1AADH7ADH4 | |
| SCHEMBL19524026 | 0.74 | ADH1B (0.39) | ADH1BADH1CADH1AADH7ADH4 | |
| SCHEMBL20832816 | 0.74 | POLB (0.32) | — | |
| SCHEMBL21746222 | 0.74 | EPHX2 (0.44) | — | |
| SCHEMBL21746091 | 0.74 | KDM1A (0.36) | — | |
| SCHEMBL21746087 | 0.73 | TP53 (0.41) | — | |
| SCHEMBL23422610 | 0.70 | ADH1B (0.39) | ADH1BADH1CADH1AADH7ADH4 |
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 |