Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.59 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.59 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | LPL | P06858 | 1/20 | 0.44 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.44 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.39 |
| ▸ | ACMSD | Q8TDX5 | 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 | |
|---|---|---|---|---|
| SCHEMBL27989815 | 0.81 | CYP2A6 (0.74) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| Formaldehyde SCHEMBL28680174 | 0.79 | CYP2A6 (0.62) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL2782336 | 0.76 | CYP2A6 (0.58) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL149952 | 0.74 | CYP2A6 (1.00) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL7265512 | 0.72 | CYP2A6 (0.48) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL1356085 | 0.72 | CYP17A1 (0.70) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL12545246 | 0.71 | CYP17A1 (0.53) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL16375393 | 0.71 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL19537481 | 0.71 | DRD2 (0.61) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL2780033 | 0.71 | CYP2A6 (0.55) | CYP2A6CYP2B6CYP2E1PDGFRBPDGFRA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117362670-A | Metal organic framework material based on octatetrathiophene, preparation method and application thereof in heavy metal adsorption | 南京理工大学 | 2024-01-09 | — | — | CN | claimed |
| CN-117362669-A | Fluorescent color-changing metal organic framework based on cyclooctatetrathiophene tetrapyridine and preparation method thereof | 南京理工大学 | 2024-01-09 | — | — | CN | disclosed |
| CN-117362670-A | Metal organic framework material based on octatetrathiophene, preparation method and application thereof in heavy metal adsorption | 南京理工大学 | 2024-01-09 | — | — | CN | disclosed |