Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.50 |
| ▸ | GPR3 | P46089 | 1/20 | 0.50 |
| ▸ | F12 | P00748 | 1/20 | 0.48 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL17942817 | 0.80 | KDM4E (0.48) | KDM4EGPR3F12PLAUNCF1 | |
| SCHEMBL3298150 | 0.78 | KDM4E (0.47) | KDM4EGPR3F12PLAUNCF1 | |
| SCHEMBL38666100 | 0.78 | KDM4E (0.47) | KDM4EGPR3F12PLAUNCF1 | |
| SCHEMBL3293976 | 0.78 | KDM4E (0.47) | KDM4EGPR3F12PLAUNCF1 | |
| SCHEMBL7435560 | 0.78 | KDM4E (0.47) | KDM4EGPR3F12PLAUNCF1 | |
| SCHEMBL15401178 | 0.78 | KDM4E (0.47) | KDM4EGPR3F12PLAUNCF1 | |
| SCHEMBL558613 | 0.78 | KDM4E (0.47) | KDM4EGPR3F12PLAUNCF1 | |
| SCHEMBL12490240 | 0.78 | KDM4E (0.47) | KDM4EGPR3F12PLAUNCF1 | |
| SCHEMBL7258713 | 0.78 | KDM4E (0.47) | KDM4EGPR3F12PLAUNCF1 | |
| SCHEMBL17942576 | 0.75 | AKT1 (0.48) | KDM4EGPR3ALDH1A1HPGDHSD17B10 |
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-109843294-A | The aminoisoquinoline derivatives that 4- replaces | 普渡研究基金会 | 2019-06-04 | — | — | CN | disclosed |