Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | GPR3 | P46089 | 1/20 | 0.35 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL255560 | 0.75 | GPR3 (0.52) | GAAGPR3CASRHSD11B1SLC6A2 | |
| SCHEMBL2341406 | 0.75 | GAA (0.42) | GAAGPR3CASRHSD11B1MAOB | |
| SCHEMBL15235976 | 0.74 | DRD2 (0.49) | CASRMAOBMAPTAPPMEN1 | |
| SCHEMBL2346377 | 0.73 | CA2 (0.37) | GAAKMT2AKIF11 | |
| SCHEMBL31507924 | 0.72 | GAA (0.40) | GAAGPR3CASRHSD11B1MAOB | |
| SCHEMBL7937983 | 0.70 | GPR3 (0.47) | GAAGPR3CASRHSD11B1SLC6A2 | |
| SCHEMBL7938385 | 0.70 | KIF11 (0.50) | GAAGPR3HSD11B1MAPTEPHX2 | |
| SCHEMBL7929139 | 0.69 | SLC6A4 (0.50) | GAAGPR3CASRSLC6A4MAPT | |
| SCHEMBL19477799 | 0.67 | GAA (0.42) | GAAGPR3CASRHSD11B1SLC6A2 | |
| SCHEMBL10603546 | 0.67 | GAA (0.42) | GAAGPR3HSD11B1MAOBMAPT |
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-2010056877-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2010-05-20 | — | — | WO | disclosed |