Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 15/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16280709 | 0.73 | DPP4 (0.47) | DPP4CYP2D6CYP3A4CYP1A2KCNH2 | |
| SCHEMBL305972 | 0.72 | DPP4 (0.59) | DPP4CYP2D6CYP3A4CYP1A2KCNH2 | |
| SCHEMBL18024031 | 0.71 | TP53 (0.37) | DPP4CYP3A4ALDH1A1MAPK1NPSR1 | |
| SCHEMBL12687268 | 0.70 | DPP4 (0.48) | DPP4CYP2D6CYP3A4CYP1A2KCNH2 | |
| SCHEMBL12841582 | 0.66 | DPP4 (0.60) | DPP4CYP2D6CYP3A4CYP1A2KCNH2 | |
| SCHEMBL28069576 | 0.65 | DPP4 (0.62) | DPP4CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL28507242 | 0.65 | DPP4 (0.68) | DPP4CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL28069573 | 0.65 | DPP4 (0.68) | DPP4CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL13142036 | 0.64 | DPP4 (0.46) | DPP4CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL12687271 | 0.64 | LMNA (0.43) | ALDH1A1NPSR1KMT2A |
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 |