Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | GAA | P10253 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6550968 | 1.00 | KDM4E (0.51) | KDM4EGAAMEN1MAPTKMT2A | |
| SCHEMBL4188631 | 0.83 | AURKA (0.59) | KDM4EGAAMEN1MAPTKMT2A | |
| SCHEMBL28420428 | 0.80 | CXCR2 (0.59) | KDM4EGAAMEN1MAPTKMT2A | |
| SCHEMBL17940697 | 0.79 | KDM4E (0.60) | KDM4EGAAMEN1MAPTKMT2A | |
| SCHEMBL31263950 | 0.78 | GAA (0.47) | KDM4EGAAMEN1MAPTKMT2A | |
| SCHEMBL2965469 | 0.78 | HTT (0.47) | KDM4EGAAMEN1MAPTKMT2A | |
| SCHEMBL16269532 | 0.77 | TSHR (0.45) | KDM4EGAAMAPTHPGDCXCR2 | |
| SCHEMBL28216056 | 0.76 | GAA (0.55) | KDM4EGAAMEN1MAPTKMT2A | |
| SCHEMBL28290256 | 0.76 | KDM4E (0.53) | KDM4EGAAMEN1MAPTKMT2A | |
| SCHEMBL28364858 | 0.76 | NPSR1 (0.55) | KDM4EGAAMEN1MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-119053587-A | 5- [7- (3, 4-Dihydro-1H-isoquinoline-2-carbonyl) -1,2,3,4 tetrahydroisoquinolin-6-yl ] -1H-pyrrole-3-carboxamide derivatives, pharmaceutical compositions containing same and use thereof as pro-apoptotic agents | 法国施维雅药厂 | 2024-11-29 | — | — | CN | disclosed |