Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | GRM1 | Q13255 | 10/20 | 0.41 |
| ▸ | GRM5 | P41594 | 9/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | EED | O75530 | 2/20 | 0.41 |
| ▸ | RBBP4 | Q09028 | 2/20 | 0.41 |
| ▸ | SUZ12 | Q15022 | 2/20 | 0.41 |
| ▸ | EZH2 | Q15910 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL17495396 | 1.00 | PDK4 (0.43) | PDK4BTKGRM1GRM5SCN9A | |
| SCHEMBL17963864 | 0.90 | PDK4 (0.42) | PDK4BTKGRM1GRM5SCN9A | |
| SCHEMBL17628977 | 0.89 | GRM1 (0.41) | PDK4BTKGRM1GRM5SCN9A | |
| SCHEMBL17495445 | 0.87 | POLB (0.33) | — | |
| SCHEMBL28570087 | 0.84 | NAMPT (0.37) | — | |
| SCHEMBL17495407 | 0.84 | SCN9A (0.47) | PDK4BTKGRM1GRM5SCN9A | |
| SCHEMBL17628762 | 0.82 | P2RX3 (0.34) | BTKGRM5GPR119 | |
| SCHEMBL17628816 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL17629003 | 0.82 | — | — | |
| SCHEMBL17495421 | 0.81 | SCN9A (0.47) | PDK4GRM1GRM5SCN9AEED |
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-112759588-B | Benzo five-membered heterocyclic amine derivative and application thereof | 复旦大学 | 2023-01-31 | — | — | CN | disclosed |