Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 11/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | ESRRB | O95718 | 1/20 | 0.36 |
| ▸ | ESRRA | P11474 | 1/20 | 0.36 |
| ▸ | MELK | Q14680 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3901983 | 0.84 | DPP4 (0.41) | DPP4ESR1ESR2ESRRBESRRA | |
| SCHEMBL3892488 | 0.84 | DPP4 (0.52) | DPP4 | |
| SCHEMBL3903159 | 0.80 | DPP4 (0.41) | DPP4 | |
| SCHEMBL3893787 | 0.79 | ESRRB (0.41) | DPP4GRIN1GRIN2BESR1ESR2 | |
| SCHEMBL4708341 | 0.78 | DPP4 (0.38) | DPP4GRIN1GRIN2B | |
| SCHEMBL4708340 | 0.77 | GRIN1 (0.36) | DPP4GRIN1GRIN2BESR1ESR2 | |
| SCHEMBL3902200 | 0.75 | DPP4 (0.50) | DPP4ESR1ESR2 | |
| SCHEMBL3895506 | 0.73 | DPP4 (0.55) | DPP4 | |
| SCHEMBL3907628 | 0.72 | DPP4 (0.54) | DPP4 | |
| SCHEMBL3897641 | 0.72 | DPP4 (0.57) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1527049-B1 | FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2008-07-16 | — | — | EP | disclosed |