Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.39 |
| ▸ | DHODH | Q02127 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | GBA1 | P04062 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 2/20 | 0.36 |
| ▸ | LYPLA1 | O75608 | 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 | |
|---|---|---|---|---|
| SCHEMBL3633944 | 0.75 | HTR2A (0.44) | TSHRCYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL25523802 | 0.72 | KDM4E (0.50) | TSHRCYP1A2DHODHSMN1; SMN2HTT | |
| Trimethylammonium SCHEMBL27954231 | 0.70 | TSHR (0.79) | TSHRMAPK1LYPLA1LYPLA2ALDH1A1 | |
| SCHEMBL21865271 | 0.70 | TSHR (0.58) | TSHRCYP1A2CYP2C19HSD17B10MAPK1 | |
| SCHEMBL5999845 | 0.68 | MEN1 (0.56) | TSHRCYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL30389997 | 0.68 | MEN1 (0.56) | TSHRCYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL31201809 | 0.68 | SMN1; SMN2 (0.43) | TSHRCYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL4237853 | 0.68 | SMN1; SMN2 (0.43) | TSHRCYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL4271429 | 0.68 | MEN1 (0.46) | TSHRCYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL2472038 | 0.66 | TSHR (0.79) | TSHRMAPK1ALDH1A1KDM4EMAPT |
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-115960046-A | Preparation method of 1-amino substituted isoquinoline substances | 温州大学 | 2023-04-14 | — | — | CN | disclosed |