Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 5/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | NQO2 | P16083 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29248015 | 1.00 | FBP1 (0.54) | FBP1CYP1A2PTGS1PTGS2NQO2 | |
| SCHEMBL29248023 | 0.84 | CYP1A2 (0.43) | FBP1CYP1A2 | |
| SCHEMBL29248029 | 0.84 | CYP1A2 (0.43) | FBP1CYP1A2 | |
| SCHEMBL793495 | 0.81 | FBP1 (0.61) | FBP1CYP1A2PTGS1PTGS2NQO2 | |
| SCHEMBL807778 | 0.81 | FBP1 (0.61) | FBP1CYP1A2PTGS1PTGS2NQO2 | |
| SCHEMBL793496 | 0.81 | FBP1 (0.61) | FBP1CYP1A2PTGS1PTGS2NQO2 | |
| SCHEMBL29248025 | 0.79 | FBP1 (0.65) | FBP1CYP1A2PTGS2 | |
| SCHEMBL29248020 | 0.79 | FBP1 (0.65) | FBP1CYP1A2PTGS2 | |
| SCHEMBL29248071 | 0.78 | FBP1 (0.65) | FBP1PTGS2 | |
| SCHEMBL29248047 | 0.78 | FBP1 (0.49) | FBP1CYP1A2AKR1C3 |
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-116655536-A | Class N 1 -aryl-3-fluoroalkyl-5-fluoropyrazole compound, and preparation method and application thereof | 天津大学 | 2023-08-29 | — | — | CN | disclosed |