Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 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 | |
|---|---|---|---|---|
| SCHEMBL20986016 | 0.81 | KDM4E (0.49) | KDM4EALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL1665000 | 0.75 | CYP1A2 (0.44) | KDM4EALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL9689111 | 0.74 | KDM4E (0.46) | KDM4EHPGDHSD17B10LMNAHTT | |
| SCHEMBL9691180 | 0.71 | HPGD (0.56) | KDM4EALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL23102794 | 0.70 | GABRA1 (0.40) | KDM4EALDH1A1CYP1A2HPGDNFKB1 | |
| SCHEMBL18885734 | 0.70 | KDM4E (0.39) | KDM4EALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL9690839 | 0.69 | HPGD (0.41) | KDM4EALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL21863674 | 0.68 | KDM4E (0.33) | KDM4EALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL9689092 | 0.67 | GABRA1 (0.37) | KDM4EALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL23104263 | 0.67 | GABRA1 (0.39) | CYP1A2GABRA1GABRG2GABRB3GABRA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021254493-A1 | CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF | 上海翊石医药科技有限公司 | 2021-12-23 | — | — | WO | disclosed |
| 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 |