Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 20/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | FAP | Q12884 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL12687228 | 0.91 | DPP4 (1.00) | DPP4CYP1A2CYP3A4CYP2D6KCNH2 | |
| SCHEMBL12687222 | 0.88 | DPP4 (1.00) | DPP4CYP1A2CYP3A4CYP2D6 | |
| Trelagliptin SCHEMBL175727 | 0.80 | DPP4 (1.00) | DPP4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27964065 | 0.80 | DPP4 (0.86) | DPP4CYP1A2CYP3A4CYP2D6 | |
| Trelagliptin SCHEMBL175726 | 0.80 | DPP4 (1.00) | DPP4CYP1A2CYP3A4CYP2D6 | |
| Trelagliptin SCHEMBL29349599 | 0.80 | DPP4 (1.00) | DPP4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16280694 | 0.77 | DPP4 (1.00) | DPP4 | |
| SCHEMBL16280698 | 0.76 | DPP4 (0.72) | DPP4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16280705 | 0.76 | DPP4 (1.00) | DPP4 | |
| Trelagliptin SCHEMBL19534887 | 0.75 | DPP4 (1.00) | DPP4CYP1A2CYP3A4CYP2D6 |
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-2680851-B1 | FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS | MERCK SHARP & DOHME (US) | 2016-08-17 | — | — | EP | disclosed |
| US-8907086-B2 | Fused bicyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-12-09 | — | — | US | disclosed |
| US-8907086-B2 | Fused bicyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-12-09 | — | — | US | disclosed |