Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 5/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.44 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24322435 | 0.81 | DPP4 (0.60) | DPP4SMN1; SMN2AKR1C3 | |
| SCHEMBL15092049 | 0.76 | CHRM1 (0.54) | CHRM1ITGB3ITGA2B | |
| SCHEMBL8160432 | 0.74 | HDAC2 (0.45) | DPP4HDAC2DPP8DPP7 | |
| SCHEMBL14326434 | 0.73 | DPP4 (0.57) | DPP4HDAC2DPP8DPP7 | |
| SCHEMBL18461798 | 0.73 | DPP4 (0.57) | DPP4HDAC2DPP8DPP7 | |
| SCHEMBL5345763 | 0.73 | DPP4 (0.53) | DPP4HDAC2DPP8DPP7 | |
| SCHEMBL14326148 | 0.73 | DPP4 (0.57) | DPP4HDAC2DPP8DPP7 | |
| SCHEMBL2817637 | 0.73 | HDAC2 (0.55) | DPP4HDAC2DPP8DPP7 | |
| SCHEMBL13841894 | 0.73 | HDAC2 (0.55) | DPP4HDAC2DPP8DPP7 | |
| Hydrochloric Acid SCHEMBL2709662 | 0.73 | DPP4 (0.98) | DPP4DPP8 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1791597-A2 | CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF | Merck Patent GmbH (DE) | 2007-06-06 | — | — | EP | disclosed |
| EP-1720844-A2 | PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES | MERCK PATENT GmbH (DE) | 2006-11-15 | — | — | EP | disclosed |
| WO-2006032342-A2 | CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF | MERCK PATENT GMBH (DE) | 2006-03-30 | — | — | WO | disclosed |
| WO-2004087646-A2 | PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES | MERCK PATENT GMBH (DE) | 2004-10-14 | — | — | WO | disclosed |