Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 4/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL20851508 | 1.00 | KDM4E (0.34) | KDM4EATMMC4RTSHRDRD2 | |
| SCHEMBL20851505 | 0.83 | MTNR1A (0.39) | — | |
| SCHEMBL20851509 | 0.83 | MTNR1A (0.39) | — | |
| SCHEMBL28650884 | 0.81 | DRD2 (0.37) | KDM4EDRD2DRD3 | |
| SCHEMBL28645032 | 0.78 | DRD2 (0.43) | DRD2DRD3 | |
| SCHEMBL22275500 | 0.77 | HTR7 (0.32) | — | |
| SCHEMBL10211760 | 0.76 | BRD4 (0.46) | KDM4EATMTSHRSMN1; SMN2BRD4 | |
| SCHEMBL28650867 | 0.74 | MALT1 (0.44) | KDM4E | |
| SCHEMBL16083493 | 0.74 | KMT2A (0.41) | — | |
| SCHEMBL16312416 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019060860-A1 | HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2019-03-28 | — | — | WO | disclosed |