Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.40 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | LPL | P06858 | 1/20 | 0.36 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28961298 | 0.88 | CYP17A1 (0.39) | CYP2A6CYP17A1GRIA4CYP2E1CYP2B6 | |
| SCHEMBL12199262 | 0.81 | IDO1 (0.36) | — | |
| SCHEMBL28985000 | 0.78 | KIF11 (0.42) | — | |
| SCHEMBL28933397 | 0.76 | CYP2A6 (0.45) | CYP2A6CYP17A1GRIA4CYP2E1CYP2B6 | |
| SCHEMBL28985017 | 0.76 | KIF11 (0.45) | — | |
| SCHEMBL13941059 | 0.75 | CYP17A1 (0.41) | CYP2A6CYP17A1GRIA4CYP2E1CYP2B6 | |
| SCHEMBL13966061 | 0.74 | CYP17A1 (0.47) | CYP2A6CYP17A1GRIA4CYP2E1CYP2B6 | |
| SCHEMBL28985275 | 0.73 | CTSL (0.38) | CTSLCTSSCTSKSLC6A4SLC6A3 | |
| SCHEMBL28985020 | 0.73 | KIF11 (0.44) | KCNH2 | |
| SCHEMBL12282257 | 0.71 | AOC3 (0.42) | SLC6A2SLC6A4SLC6A3 |
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-115948752-A | Reaction method for selective fluorination functionalization of harmonious difluoro olefin | 暨南大学 | 2023-04-11 | — | — | CN | disclosed |