Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 6/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 6/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL18323613 | 0.86 | BRD4 (0.50) | BRD4SIGMAR1CXCR4CHEK1CHRM2 | |
| SCHEMBL18323599 | 0.86 | BRD4 (0.37) | BRD4SIGMAR1CXCR4CHEK1CHRM2 | |
| SCHEMBL18323630 | 0.82 | BRD4 (0.49) | BRD4SIGMAR1CXCR4CHEK1CHRM2 | |
| SCHEMBL18323615 | 0.82 | BRD4 (0.47) | BRD4SIGMAR1CXCR4CHEK1CHRM2 | |
| SCHEMBL14317627 | 0.82 | BRD4 (0.56) | BRD4SIGMAR1CXCR4CHEK1CHRM2 | |
| SCHEMBL14315483 | 0.80 | BRD4 (0.51) | BRD4SIGMAR1CXCR4CHEK1CHRM2 | |
| SCHEMBL18323668 | 0.78 | BRD4 (0.47) | BRD4SIGMAR1CXCR4CHEK1CHRM2 | |
| SCHEMBL18323600 | 0.78 | BRD4 (0.49) | BRD4SIGMAR1CXCR4CHEK1CHRM2 | |
| SCHEMBL18323611 | 0.77 | BRD4 (0.48) | BRD4SIGMAR1CXCR4CHEK1CHRM2 | |
| SCHEMBL18323610 | 0.76 | BRD4 (0.47) | BRD4SIGMAR1CXCR4CHEK1CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9522910-B2 | Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon | Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) | 2016-12-20 | — | — | US | disclosed |