Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 3/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.37 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.36 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.36 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.36 |
| ▸ | TEK | Q02763 | 1/20 | 0.36 |
| ▸ | GPR183 | P32249 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22938723 | 0.86 | GPR119 (0.40) | KDRAADAT | |
| SCHEMBL28528135 | 0.84 | AADAT (0.51) | AADATCACNA1GCACNA1HCACNA1I | |
| SCHEMBL28703394 | 0.80 | SMN1; SMN2 (0.41) | AADATCACNA1GCACNA1HCACNA1I | |
| SCHEMBL29774650 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL28531542 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL28521863 | 0.78 | AADAT (0.54) | AADAT | |
| SCHEMBL28507187 | 0.77 | HTT (0.46) | — | |
| SCHEMBL28527545 | 0.75 | AADAT (0.53) | NAMPTAADAT | |
| SCHEMBL28538329 | 0.75 | AADAT (0.38) | AADATGPR183 | |
| SCHEMBL28525980 | 0.74 | PARP1 (0.39) | HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112300167-B | Pyrrolopyrazole derivative, preparation method and medical application thereof | 上海美迪西生物医药股份有限公司 | 2022-01-21 | — | — | CN | disclosed |
| CN-112300167-A | Pyrrolopyrazole derivative, preparation method and medical application thereof | 上海美迪西生物医药股份有限公司 | 2021-02-02 | — | — | CN | disclosed |