Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 | P34998 | 11/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19908746 | 0.84 | CRHR1 (0.42) | CRHR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL19908549 | 0.78 | CA12 (0.36) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL11033722 | 0.74 | CYP3A4 (0.39) | CRHR1ALDH1A1THRBKCNH2 | |
| SCHEMBL10361251 | 0.70 | SLC6A4 (0.33) | GAASLC6A4 | |
| SCHEMBL202933 | 0.68 | ALDH1A1 (0.43) | GAANPC1MEN1ALDH1A1MAPT | |
| SCHEMBL6189730 | 0.68 | ALDH1A1 (0.43) | GAANPC1MEN1ALDH1A1MAPT | |
| SCHEMBL28097249 | 0.66 | GAA (0.42) | GAANPC1MEN1ALDH1A1MAPT | |
| SCHEMBL11745815 | 0.66 | ALDH1A1 (0.46) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL30140311 | 0.65 | GAA (0.41) | GAANPC1MEN1ALDH1A1MAPT | |
| SCHEMBL3006255 | 0.65 | ALDH1A1 (0.50) | GAANPC1MEN1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3287441-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-28 | — | — | EP | disclosed |