Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.41 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | LPL | P06858 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30204365 | 0.82 | ESR1 (0.39) | — | |
| SCHEMBL13941059 | 0.77 | CYP17A1 (0.41) | CYP2A6CYP2B6CYP2E1CTSLCTSB | |
| SCHEMBL28985015 | 0.76 | CYP2A6 (0.41) | CYP2A6CYP2B6CYP2E1CTSLCTSB | |
| SCHEMBL13966061 | 0.76 | CYP17A1 (0.47) | CYP2A6CYP2B6CYP2E1CTSLCTSB | |
| SCHEMBL27989815 | 0.74 | CYP2A6 (0.74) | CYP2A6CYP2B6CYP2E1CYP17A1GRIA4 | |
| SCHEMBL28933413 | 0.74 | KIF11 (0.48) | CTSLCTSBCTSSCTSKPDK2 | |
| SCHEMBL12545246 | 0.72 | CYP17A1 (0.53) | CYP2A6CYP2B6CYP2E1CTSLCTSB | |
| SCHEMBL28933406 | 0.72 | KIF11 (0.52) | — | |
| SCHEMBL2289309 | 0.72 | KIF11 (0.56) | CYP2A6CYP2B6CYP2E1CYP17A1KCNH2 | |
| SCHEMBL28961298 | 0.70 | CYP17A1 (0.39) | CYP2A6CYP2B6CYP2E1CTSLCTSB |
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-115572210-B | (1,2,2,2-tetrafluoroethyl) arene derivative and preparation method and application thereof | 暨南大学 | 2023-03-21 | — | — | CN | disclosed |
| CN-115572210-A | (1, 2-tetrafluoroethyl) arene derivative and preparation method and application thereof | 暨南大学 | 2023-01-06 | — | — | CN | disclosed |