Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 5/20 | 0.39 |
| ▸ | PGR | P06401 | 4/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 4/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.30 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4612499 | 0.77 | PARP1 (0.47) | PARP1NR3C1PGRNR3C2HTR2A | |
| SCHEMBL30862506 | 0.77 | PARP1 (0.47) | PARP1NR3C1PGRNR3C2SLC6A2 | |
| SCHEMBL5516442 | 0.76 | NR3C1 (0.47) | PARP1NR3C1PGRNR3C2HTR2A | |
| SCHEMBL29385220 | 0.74 | PARP1 (0.53) | PARP1SLC6A2SLC6A4DAOKCNH2 | |
| SCHEMBL734868 | 0.74 | PARP1 (0.53) | PARP1SLC6A2SLC6A4DAOKCNH2 | |
| SCHEMBL6554491 | 0.74 | PARP1 (0.49) | PARP1NR3C1PGRNR3C2DAO | |
| SCHEMBL12505563 | 0.71 | NR3C1 (0.48) | PARP1NR3C1PGRNR3C2HTR2A | |
| SCHEMBL3426685 | 0.70 | BCL2L1 (0.44) | NPSR1 | |
| SCHEMBL1057902 | 0.70 | PARP1 (0.52) | PARP1HTR2AHTR2CSLC6A2SLC6A4 | |
| SCHEMBL5542419 | 0.70 | PARP1 (0.56) | PARP1NR3C1HTR2AHTR2CSLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |