Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 2/20 | 0.45 |
| ▸ | BRD2 | P25440 | 1/20 | 0.45 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.45 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17814682 | 0.87 | BRD4 (0.60) | ATMAPOBEC3GBRD4BRD2BRD3 | |
| SCHEMBL19682687 | 0.82 | ATM (0.45) | ATMAPOBEC3GBRD4BRD2BRD3 | |
| SCHEMBL17814708 | 0.81 | KMT2A (0.47) | ATMAPOBEC3GBRD4BRD2BRD3 | |
| SCHEMBL17814707 | 0.77 | ATM (0.49) | ATMAPOBEC3GBRD4BRD2BRD3 | |
| SCHEMBL30804853 | 0.72 | P2RX3 (0.40) | BRD4BRD2BRD3BRDTP2RX3 | |
| SCHEMBL28543995 | 0.72 | P2RX3 (0.40) | BRD4BRD2BRD3BRDTP2RX3 | |
| SCHEMBL19682690 | 0.72 | P2RX3 (0.60) | P2RX3 | |
| SCHEMBL19683040 | 0.72 | P2RX3 (0.57) | P2RX3 | |
| SCHEMBL30804835 | 0.71 | ATM (0.52) | ATMAPOBEC3GBRD4BRD2BRD3 | |
| SCHEMBL17814709 | 0.71 | PNP (0.54) | ATMAPOBEC3GMAPK1KMT2ATSHR |
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-112409331-B | Heterocyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-112409331-A | Heterocyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-02-26 | — | — | CN | disclosed |
| WO-2017209267-A1 | PURINE DERIVATIVE | 塩野義製薬株式会社 | 2017-12-07 | — | — | WO | disclosed |