Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Sitagliptin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 20/20 | 0.98 |
| ▸ | DPP8 | Q6V1X1 | 12/20 | 0.98 |
| ▸ | DPP9 | Q86TI2 | 3/20 | 0.96 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.96 |
| ▸ | ACE | P12821 | 1/20 | 0.96 |
| ▸ | HTR2A | P28223 | 1/20 | 0.96 |
| ▸ | FAP | Q12884 | 1/20 | 0.96 |
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 | |
|---|---|---|---|---|
| Sitagliptin SCHEMBL31382815 | 1.00 | DPP4 (0.98) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL30885792 | 0.99 | DPP4 (0.98) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL1533793 | 0.99 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL572135 | 0.99 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL17783 | 0.98 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL174489 | 0.98 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL31513245 | 0.98 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL1289311 | 0.98 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL19520418 | 0.98 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL29365085 | 0.98 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2016162877-A1 | \"A PROCESS FOR PREPARING 7-[(3R)-3-AMINO-L-OXO-4-(2,4,5TRIFLUOROPHENYL)BUTYI]- 5,6,7,8-TETRAHYDRO-3-(TRIFLUOROMETHYL)-L,2,4-TRIAZOLO[4,3-A]PYRAZINE HYDROCHLORIDE MONOHYDRATE AND ITS CRYSTALLINE FORM\ | HARMAN FINOCHEM LIMITED (IN) | 2016-10-13 | — | — | WO | claimed |
| WO-2016162877-A1 | \"A PROCESS FOR PREPARING 7-[(3R)-3-AMINO-L-OXO-4-(2,4,5TRIFLUOROPHENYL)BUTYI]- 5,6,7,8-TETRAHYDRO-3-(TRIFLUOROMETHYL)-L,2,4-TRIAZOLO[4,3-A]PYRAZINE HYDROCHLORIDE MONOHYDRATE AND ITS CRYSTALLINE FORM\ | HARMAN FINOCHEM LIMITED (IN) | 2016-10-13 | — | — | WO | disclosed |