Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 9/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 9/20 | 0.36 |
| ▸ | DHFR | P00374 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22544270 | 0.83 | RAD52 (0.49) | DRD2DRD3DHFRMAPTTP53 | |
| SCHEMBL12696310 | 0.78 | FLT3 (0.43) | PDCD1CD274MAPTTP53 | |
| SCHEMBL29591564 | 0.77 | CDK4 (0.40) | DRD2DRD3PDCD1CD274DHFR | |
| Hydrochloric Acid SCHEMBL29591446 | 0.76 | CDK4 (0.40) | DRD2DRD3PDCD1CD274DHFR | |
| SCHEMBL20356369 | 0.75 | CDK4 (0.41) | DRD2DRD3MAPTTP53 | |
| SCHEMBL12101137 | 0.74 | CYP2C9 (0.47) | DRD2DRD3MAPTMEN1KMT2A | |
| SCHEMBL30316371 | 0.74 | CYP2C9 (0.47) | DRD2DRD3MAPTMEN1KMT2A | |
| SCHEMBL27966943 | 0.73 | L3MBTL1 (0.36) | DHFRMAPTMEN1NPC1RAB9A | |
| SCHEMBL27932905 | 0.73 | HSD17B3 (0.46) | DRD2DRD3MEN1KMT2APOLB | |
| SCHEMBL27835352 | 0.73 | NR1H2 (0.47) | DRD2DRD3MAPTMEN1KMT2A |
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-106928219-B | Nitrogen-containing fused heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2021-08-20 | — | — | CN | disclosed |