Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CCL2 | P13500 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16245516 | 0.77 | BRD4 (0.38) | BRD4CCL2MAPTALDH1A1KDM4E | |
| SCHEMBL28089129 | 0.72 | BRD4 (0.49) | SMN1; SMN2BRD4CCL2LMNAMAPT | |
| SCHEMBL29290952 | 0.71 | SMN1; SMN2 (0.41) | SMN1; SMN2MAPTCRBNEP300KAT2B | |
| SCHEMBL28147769 | 0.71 | BRD4 (0.37) | BRD4CCL2MAPTALDH1A1KDM4E | |
| SCHEMBL29290947 | 0.71 | SMN1; SMN2 (0.41) | SMN1; SMN2MAPTCRBNEP300KAT2B | |
| SCHEMBL28099962 | 0.71 | CRBN (0.35) | SMN1; SMN2MAPTCRBNEP300KAT2B | |
| SCHEMBL28209858 | 0.71 | SMN1; SMN2 (0.34) | SMN1; SMN2TSHRNPSR1LMNACRBN | |
| Hydrochloric Acid SCHEMBL27913881 | 0.70 | BRD4 (0.47) | SMN1; SMN2BRD4CCL2LMNAMAPT | |
| SCHEMBL27682027 | 0.70 | BRD4 (0.40) | BRD4CCL2MAPTALDH1A1CYP1A2 | |
| SCHEMBL29290943 | 0.69 | KDM4E (0.36) | SMN1; SMN2TSHRLMNACRBNEP300 |
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-109942542-B | Preparation method of 3- (1, 3-diene-2-yl) isoquinoline-1 (2H) -ketone compound | 南开大学 | 2021-05-07 | — | — | CN | disclosed |