Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | GPR6 | P46095 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.30 |
| ▸ | UBA2 | Q9UBT2 | 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 | |
|---|---|---|---|---|
| SCHEMBL24014197 | 0.89 | DHODH (0.33) | CYP1A2CYP2C9CYP2C19CHEK1DHODH | |
| SCHEMBL24014414 | 0.85 | — | — | |
| SCHEMBL24014184 | 0.83 | — | — | |
| SCHEMBL24013654 | 0.76 | ALDH1A1 (0.33) | ALDH1A1KDM4E | |
| SCHEMBL24013678 | 0.76 | — | — | |
| SCHEMBL24014185 | 0.73 | — | — | |
| SCHEMBL24014379 | 0.71 | DHODH (0.34) | DHODHALDH1A1 | |
| SCHEMBL25109178 | 0.67 | HCRTR1 (0.35) | CYP1A2CYP2C9CYP2C19ALDH1A1BRD4 | |
| SCHEMBL30228085 | 0.67 | HCRTR1 (0.35) | CYP1A2CYP2C9CYP2C19ALDH1A1BRD4 | |
| SCHEMBL25108430 | 0.66 | CYP1A2 (0.33) | CYP1A2CYP2C9CYP2C19ALDH1A1BRD4 |
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-2021226269-A1 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. (US) | 2021-11-11 | — | — | WO | disclosed |