Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 8/20 | 0.52 |
| ▸ | BRD2 | P25440 | 5/20 | 0.52 |
| ▸ | BRD3 | Q15059 | 5/20 | 0.52 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.43 |
| ▸ | CDK9 | P50750 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KIT | P10721 | 1/20 | 0.43 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29845791 | 1.00 | BRD4 (0.52) | BRD4BRD2BRD3CYP17A1PKM | |
| SCHEMBL28830942 | 0.94 | MET (0.47) | BRD4BRD2BRD3ALDH1A1LMNA | |
| SCHEMBL29845928 | 0.94 | MET (0.47) | BRD4BRD2BRD3ALDH1A1LMNA | |
| SCHEMBL28831130 | 0.84 | KIT (0.46) | BRD4BRD2BRD3CYP17A1ALDH1A1 | |
| SCHEMBL29845715 | 0.84 | KIT (0.46) | BRD4BRD2BRD3CYP17A1ALDH1A1 | |
| SCHEMBL29845756 | 0.83 | BRD4 (0.56) | BRD4BRD2BRD3 | |
| SCHEMBL28830956 | 0.83 | BRD4 (0.56) | BRD4BRD2BRD3 | |
| SCHEMBL28830984 | 0.81 | BRD4 (0.53) | BRD4CYP17A1KIT | |
| SCHEMBL29845731 | 0.81 | BRD4 (0.53) | BRD4CYP17A1KIT | |
| SCHEMBL29845921 | 0.77 | BRD4 (0.50) | BRD4ALDH1A1LMNAMAPTCCNT1 |
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 |