Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29020525 | 0.88 | TSHR (0.51) | CYP2C19CYP2C9CYP3A4CYP1A2POLB | |
| SCHEMBL29020517 | 0.80 | TSHR (0.75) | CYP2C19CYP2C9CYP3A4CYP1A2POLB | |
| SCHEMBL29020522 | 0.80 | MAPT (0.64) | CYP2C19CYP2C9CYP3A4CYP1A2POLB | |
| SCHEMBL29020536 | 0.74 | MAPT (0.39) | CYP2C19CYP2C9CYP3A4MEN1KMT2A | |
| SCHEMBL4208919 | 0.69 | TSHR (0.66) | CYP2C19CYP2C9CYP3A4CYP1A2POLB | |
| SCHEMBL4215113 | 0.69 | TSHR (0.76) | CYP2C19CYP2C9CYP3A4CYP1A2POLB | |
| SCHEMBL4209301 | 0.68 | TSHR (0.72) | CYP2C19CYP2C9CYP3A4CYP1A2POLB | |
| SCHEMBL4204004 | 0.68 | TSHR (0.73) | CYP2C19CYP2C9CYP3A4CYP1A2POLB | |
| SCHEMBL4204333 | 0.68 | TSHR (0.64) | CYP2C19CYP2C9CYP3A4CYP1A2POLB | |
| SCHEMBL4199189 | 0.68 | CYP3A4 (0.73) | CYP2C19CYP2C9CYP3A4CYP1A2TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113402473-B | Thiotriazole compound, preparation method and application thereof | 四川省医学科学院·四川省人民医院 | 2023-06-23 | — | — | CN | disclosed |
| CN-113402473-A | Thiotriazole compound, preparation method and application thereof | 四川省医学科学院·四川省人民医院 | 2021-09-17 | — | — | CN | disclosed |