Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 20/20 | 0.81 |
| ▸ | DPP8 | Q6V1X1 | 11/20 | 0.78 |
| ▸ | DPP9 | Q86TI2 | 4/20 | 0.77 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.76 |
| ▸ | ACE | P12821 | 1/20 | 0.76 |
| ▸ | HTR2A | P28223 | 1/20 | 0.76 |
| ▸ | FAP | Q12884 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL725863 | 0.88 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| SCHEMBL15024074 | 0.88 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| SCHEMBL12323237 | 0.88 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| SCHEMBL725864 | 0.88 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| SCHEMBL31268268 | 0.88 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| SCHEMBL2667450 | 0.87 | DPP4 (0.84) | DPP4DPP8DPP9DPP7ACE | |
| Hydrochloric Acid SCHEMBL28963694 | 0.87 | DPP4 (0.98) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL19520418 | 0.86 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL174489 | 0.86 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL1289311 | 0.86 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2331545-A2 | IMPROVED PROCESS FOR PREPARATION OF (2R)-4-OXO-4-[3- (TRIFLUOROMETHYL)-5,6-DIHYDRO [1,2,4]-TRIAZOLO[4,3-A]PYRAZIN- 7(8H)-YL]-L-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE&NEW IMPURITIES IN PREPARATION THEREOF | Cadila Healthcare Limited (IN) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010032264-A2 | IMPROVED PROCESS FOR PREPARATION OF (2R)-4-OXO-4-[3- (TRIFLUOROMETHYL)-5,6-DIHYDRO [1,2,4]-TRIAZOLO[4,3-A]PYRAZIN- 7(8H)-YL]-L-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE & NEW IMPURITIES IN PREPARATION THEREOF | CADILA HEALTHCARE LIMITED (IN) | 2010-03-25 | — | — | WO | disclosed |