Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.39 |
| ▸ | NMBR | P28336 | 1/20 | 0.39 |
| ▸ | GRPR | P30550 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL29808298 | 0.80 | OPRM1 (0.64) | OPRM1 | |
| SCHEMBL22261623 | 0.80 | OPRM1 (0.64) | OPRM1 | |
| SCHEMBL22283293 | 0.80 | OPRM1 (0.64) | OPRM1 | |
| SCHEMBL30288497 | 0.80 | OPRM1 (0.64) | OPRM1 | |
| SCHEMBL15863115 | 0.78 | GRIN1 (0.47) | HSD11B1GRIN1GRIN2AGRIN2BEPHX2 | |
| SCHEMBL15866970 | 0.78 | GRIN1 (0.42) | HSD11B1GRIN1GRIN2AGRIN2BEPHX2 | |
| Hydrochloric Acid SCHEMBL15862793 | 0.77 | GRIN1 (0.41) | HSD11B1GRIN1GRIN2AGRIN2BEPHX2 | |
| SCHEMBL6803003 | 0.77 | DPP4 (0.52) | GRIN1GRIN2AGRIN2BKDM4EOPRM1 | |
| SCHEMBL6182607 | 0.77 | DPP4 (0.52) | GRIN1GRIN2AGRIN2BKDM4EOPRM1 | |
| SCHEMBL28459324 | 0.77 | GRIN1 (0.50) | HSD11B1GRIN1GRIN2AGRIN2BEPHX2 |
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-2011061590-A1 | NOVEL CARBOXAMIDE DERIVATIVES AS HIV INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2011-05-26 | — | — | WO | disclosed |