Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 20/20 | 0.62 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28507241 | 0.80 | DPP4 (0.59) | DPP4OPRM1OPRK1CYP1A2CYP3A4 | |
| SCHEMBL28507242 | 0.78 | DPP4 (0.68) | DPP4OPRM1OPRK1CYP1A2CYP3A4 | |
| SCHEMBL28069573 | 0.78 | DPP4 (0.68) | DPP4OPRM1OPRK1CYP1A2CYP3A4 | |
| Trelagliptin SCHEMBL175726 | 0.77 | DPP4 (1.00) | DPP4OPRM1OPRK1CYP1A2CYP3A4 | |
| Trelagliptin SCHEMBL29349599 | 0.77 | DPP4 (1.00) | DPP4OPRM1OPRK1CYP1A2CYP3A4 | |
| Trelagliptin SCHEMBL175727 | 0.77 | DPP4 (1.00) | DPP4OPRM1OPRK1CYP1A2CYP3A4 | |
| Trelagliptin SCHEMBL878010 | 0.75 | DPP4 (1.00) | DPP4OPRM1OPRK1CYP1A2CYP3A4 | |
| Trelagliptin SCHEMBL29364762 | 0.75 | DPP4 (1.00) | DPP4OPRM1OPRK1CYP1A2CYP3A4 | |
| Trelagliptin SCHEMBL19534887 | 0.75 | DPP4 (1.00) | DPP4OPRM1OPRK1CYP1A2CYP3A4 | |
| Trelagliptin SCHEMBL28390472 | 0.75 | DPP4 (1.00) | DPP4OPRM1OPRK1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105646447-A | Synthesis method of dipeptidyl peptidase inhibitor | 北京康立生医药技术开发有限公司 | 2016-06-08 | — | — | CN | disclosed |