Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.69 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.69 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.69 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.69 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.69 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | IGF1R | P08069 | 1/20 | 0.42 |
| ▸ | FLT4 | P35916 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL28488499 | 0.89 | AKR1C3 (0.74) | AKR1C3AKR1C2PTGS1AKR1C4AKR1C1 | |
| SCHEMBL28500992 | 0.89 | AKR1C3 (0.74) | AKR1C3AKR1C2PTGS1AKR1C4AKR1C1 | |
| SCHEMBL28487851 | 0.89 | AKR1C3 (0.74) | AKR1C3AKR1C2PTGS1AKR1C4AKR1C1 | |
| SCHEMBL28496018 | 0.84 | AKR1C3 (0.71) | AKR1C3AKR1C2PTGS1AKR1C4AKR1C1 | |
| SCHEMBL11836056 | 0.83 | AKR1C3 (0.64) | AKR1C3AKR1C2PTGS1AKR1C4AKR1C1 | |
| SCHEMBL11834396 | 0.82 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS1AKR1C4AKR1C1 | |
| SCHEMBL28487853 | 0.82 | AKR1C3 (0.68) | AKR1C3AKR1C2PTGS1AKR1C4AKR1C1 | |
| SCHEMBL28074421 | 0.81 | AKR1C3 (0.61) | AKR1C3AKR1C2PTGS1AKR1C4AKR1C1 | |
| SCHEMBL28495383 | 0.80 | PTGS1 (0.75) | AKR1C3AKR1C2PTGS1AKR1C4AKR1C1 | |
| SCHEMBL11844817 | 0.79 | AKR1C3 (0.70) | AKR1C3AKR1C2PTGS1AKR1C4AKR1C1 |
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-105646330-B | Aromatic heterocyclic derivative and application thereof in medicine | 贵州医科大学 | 2020-12-11 | — | — | CN | disclosed |