Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 5/20 | 0.46 |
| ▸ | BRD4 | O60885 | 4/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.44 |
| ▸ | BRD2 | P25440 | 1/20 | 0.43 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.42 |
| ▸ | CDK9 | P50750 | 2/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 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 | |
|---|---|---|---|---|
| SCHEMBL29845715 | 1.00 | KIT (0.46) | KITBRD4PTPN2PTPN1PTPN5 | |
| SCHEMBL29845921 | 0.94 | BRD4 (0.50) | KITBRD4PTPN2PTPN1PTPN5 | |
| SCHEMBL28830981 | 0.94 | BRD4 (0.50) | KITBRD4PTPN2PTPN1PTPN5 | |
| SCHEMBL29845903 | 0.88 | SCN9A (0.51) | KITBRD4SCN9AMAPTCYP2C9 | |
| SCHEMBL28831026 | 0.88 | SCN9A (0.51) | KITBRD4SCN9AMAPTCYP2C9 | |
| SCHEMBL28830932 | 0.85 | BRD4 (0.61) | BRD4BRD2BRD3 | |
| SCHEMBL29845832 | 0.85 | BRD4 (0.61) | BRD4BRD2BRD3 | |
| SCHEMBL29845791 | 0.84 | BRD4 (0.52) | KITBRD4BRD2BRD3CYP17A1 | |
| SCHEMBL28830920 | 0.84 | BRD4 (0.52) | KITBRD4BRD2BRD3CYP17A1 | |
| SCHEMBL28831145 | 0.82 | BRD4 (0.51) | KITBRD4SCN9ACYP2C9 |
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 |