Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | B3GAT3 | O94766 | 1/20 | 0.76 |
| ▸ | CDK4 | P11802 | 1/20 | 0.48 |
| ▸ | CCND1 | P24385 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | IGF1R | P08069 | 2/20 | 0.45 |
| ▸ | MET | P08581 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GABRP | O00591 | 1/20 | 0.44 |
| ▸ | GABRD | O14764 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29504687 | 0.90 | B3GAT3 (0.79) | B3GAT3CDK4CCND1 | |
| SCHEMBL29504741 | 0.90 | B3GAT3 (0.79) | B3GAT3CDK4CCND1GABRPGABRD | |
| SCHEMBL29504713 | 0.90 | B3GAT3 (0.79) | B3GAT3CDK4CCND1RAB9AMAPT | |
| SCHEMBL28984921 | 0.90 | B3GAT3 (0.79) | B3GAT3CDK4CCND1 | |
| SCHEMBL28984931 | 0.90 | B3GAT3 (0.79) | B3GAT3CDK4CCND1RAB9AMAPT | |
| SCHEMBL28984923 | 0.89 | B3GAT3 (0.78) | B3GAT3CDK4CCND1KMT2A | |
| SCHEMBL28984922 | 0.88 | B3GAT3 (0.85) | B3GAT3CDK4CCND1RAB9A | |
| SCHEMBL28985340 | 0.88 | B3GAT3 (0.74) | B3GAT3CDK4CCND1RAB9AMAPT | |
| SCHEMBL29504658 | 0.87 | B3GAT3 (0.81) | B3GAT3RAB9ANPC1MAPTTP53 | |
| SCHEMBL28984929 | 0.87 | B3GAT3 (1.00) | B3GAT3CDK4CCND1RAB9ATP53 |
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-114456150-A | NR2B receptor antagonist or pharmaceutically acceptable salt thereof, preparation method and application | 中国药科大学 | 2022-05-10 | — | — | CN | disclosed |