Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 11/20 | 0.35 |
| ▸ | ESRRB | O95718 | 6/20 | 0.34 |
| ▸ | ESRRA | P11474 | 6/20 | 0.34 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4704038 | 0.83 | DPP4 (0.48) | DPP4 | |
| SCHEMBL4708341 | 0.82 | DPP4 (0.38) | GRIN1GRIN2BDPP4 | |
| SCHEMBL3893787 | 0.79 | ESRRB (0.41) | GRIN1GRIN2BDPP4ESRRBESRRA | |
| SCHEMBL4735167 | 0.77 | DPP4 (0.38) | GRIN1GRIN2BDPP4ESRRBESRRA | |
| SCHEMBL3903159 | 0.76 | DPP4 (0.41) | DPP4 | |
| SCHEMBL3893950 | 0.68 | ESRRB (0.41) | GRIN1GRIN2BESRRBESRRAESR1 | |
| SCHEMBL4705289 | 0.68 | DPP4 (0.54) | DPP4 | |
| SCHEMBL3897670 | 0.68 | ESRRB (0.41) | DPP4ESRRBESRRAESR1ESR2 | |
| SCHEMBL4704039 | 0.67 | DPP4 (0.56) | DPP4 | |
| SCHEMBL4704734 | 0.66 | DPP4 (0.62) | DPP4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1527049-B8 | FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2008-10-29 | — | — | EP | disclosed |
| EP-1527049-A2 | FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2005-05-04 | — | — | EP | disclosed |
| WO-2004014860-A2 | FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-02-19 | — | — | WO | disclosed |