Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 4/20 | 0.39 |
| ▸ | CCND1 | P24385 | 4/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15012457 | 0.77 | CMA1 (0.36) | — | |
| SCHEMBL31368649 | 0.77 | CMA1 (0.36) | — | |
| SCHEMBL28990232 | 0.76 | BACE1 (0.46) | CDK4CCND1CNR2GRM2BACE1 | |
| SCHEMBL12384269 | 0.76 | SLC6A4 (0.39) | CDK4CCND1CNR2GRM2SLC6A4 | |
| SCHEMBL15745375 | 0.71 | DRD2 (0.48) | P2RX7GRM2DRD2SLC6A4 | |
| SCHEMBL12601214 | 0.69 | GRM2 (0.38) | CDK4CCND1CNR2GRM2DRD2 | |
| SCHEMBL27827799 | 0.68 | P2RX7 (0.53) | CDK4CCND1P2RX7CNR2 | |
| SCHEMBL3595410 | 0.67 | CDK4 (0.76) | CDK4CCND1DRD2SLC6A4HTR2A | |
| SCHEMBL29372496 | 0.67 | CDK4 (0.76) | CDK4CCND1DRD2SLC6A4HTR2A | |
| Ammonia Solution, Strong SCHEMBL6604735 | 0.67 | HTR2A (0.66) | GRM2HTR2AHTR2C |
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-108774122-B | Method for synthesizing diaryl ketone compound by carbonylation taking chloroform as carbonyl source without participation of transition metal | 南京师范大学 | 2021-06-11 | — | — | CN | disclosed |