Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE6D | O43924 | 5/20 | 0.51 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30498869 | 0.83 | MEN1 (0.44) | PDE6DGAAADRB2TSHRNPSR1 | |
| SCHEMBL5332827 | 0.77 | GAA (0.56) | GAAADRB2TSHRNPSR1CYP3A4 | |
| SCHEMBL29020533 | 0.77 | L3MBTL1 (0.41) | PDE6DGAAADRB2TSHRNPSR1 | |
| SCHEMBL5330985 | 0.75 | TSHR (0.56) | GAAADRB2TSHRMEN1KMT2A | |
| SCHEMBL5327274 | 0.71 | GAA (0.79) | GAAADRB2TSHRMEN1KMT2A | |
| SCHEMBL29020540 | 0.69 | RGS12 (0.52) | PDE6DADRB2MEN1KMT2ALMNA | |
| SCHEMBL28478269 | 0.69 | PDE6D (0.73) | PDE6DTSHRNPSR1CYP3A4MEN1 | |
| SCHEMBL5334239 | 0.66 | GAA (0.60) | GAAADRB2TSHRNPSR1CYP3A4 | |
| SCHEMBL29020524 | 0.66 | NPC1 (0.58) | PDE6DGAAADRB2TSHRMEN1 | |
| SCHEMBL8907288 | 0.66 | ALOX15 (0.57) | GAATSHRMEN1KMT2AHTT |
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 |