Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.54 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | EIF4E | P06730 | 3/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2728011 | 0.85 | PDE10A (0.53) | PDE10ATGFBR1NPSR1RXFP1ADORA2A | |
| SCHEMBL2728335 | 0.84 | TGFBR1 (0.42) | PDE10ATGFBR1EIF4EDHODHCYP19A1 | |
| SCHEMBL2729191 | 0.80 | CHEK2 (0.43) | TGFBR1CHEK2EIF4ERAB9A | |
| SCHEMBL2726265 | 0.77 | TGFBR1 (0.38) | TGFBR1NPSR1ADORA2AEIF4EALDH1A1 | |
| SCHEMBL2726308 | 0.73 | TGFBR1 (0.46) | PDE10ATGFBR1ADORA2APARP1KDM4E | |
| SCHEMBL2706854 | 0.73 | TGFBR1 (0.51) | PDE10ATGFBR1EIF4EPARP1KDM4E | |
| SCHEMBL30263367 | 0.73 | CYP19A1 (0.57) | NPSR1EIF4EGRM5CYP19A1KDM4E | |
| SCHEMBL30606303 | 0.72 | PDE10A (1.00) | PDE10AADORA2AADORA1CYP19A1KDM4E | |
| SCHEMBL6840490 | 0.72 | PDE10A (1.00) | PDE10AADORA2AADORA1CYP19A1KDM4E | |
| SCHEMBL7079763 | 0.72 | BRD4 (0.48) | CHEK2BTKGRM5DHODHKDM4E |
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-2012054510-A1 | OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |