Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 10/20 | 0.51 |
| ▸ | SCN9A | Q15858 | 6/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | KIT | P10721 | 2/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.41 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29845890 | 1.00 | BRD4 (0.51) | BRD4SCN9ACYP2C9KITSCN5A | |
| SCHEMBL28830975 | 0.92 | SCN9A (0.49) | BRD4SCN9ACYP2C9KITSCN5A | |
| SCHEMBL29845298 | 0.92 | SCN9A (0.49) | BRD4SCN9ACYP2C9KITSCN5A | |
| SCHEMBL29845832 | 0.87 | BRD4 (0.61) | BRD4 | |
| SCHEMBL28830932 | 0.87 | BRD4 (0.61) | BRD4 | |
| SCHEMBL28830981 | 0.86 | BRD4 (0.50) | BRD4SCN9ACYP2C9KITSCN5A | |
| SCHEMBL29845921 | 0.86 | BRD4 (0.50) | BRD4SCN9ACYP2C9KITSCN5A | |
| SCHEMBL29845840 | 0.85 | SCN9A (0.43) | BRD4SCN9ACYP2C9SCN5ACYP3A4 | |
| SCHEMBL28831069 | 0.85 | SCN9A (0.43) | BRD4SCN9ACYP2C9SCN5ACYP3A4 | |
| SCHEMBL28830984 | 0.84 | BRD4 (0.53) | BRD4KIT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115028646-A | Nitrogen-containing heterocyclic compound, preparation method and application in antitumor preparation | 山东第一医科大学(山东省医学科学院) | 2022-09-09 | — | — | CN | claimed |
| CN-115028646-B | Nitrogen-containing heterocyclic compound, preparation method and application thereof in antitumor preparation | 山东第一医科大学(山东省医学科学院) | 2023-06-30 | — | — | CN | disclosed |
| CN-115028646-A | Nitrogen-containing heterocyclic compound, preparation method and application in antitumor preparation | 山东第一医科大学(山东省医学科学院) | 2022-09-09 | — | — | CN | disclosed |