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 | 1.00 |
| ▸ | DPP8 | Q6V1X1 | 12/20 | 1.00 |
| ▸ | DPP9 | Q86TI2 | 3/20 | 1.00 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 1.00 |
| ▸ | ACE | P12821 | 1/20 | 1.00 |
| ▸ | HTR2A | P28223 | 1/20 | 1.00 |
| ▸ | FAP | Q12884 | 1/20 | 1.00 |
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 SCHEMBL31513245 | 1.00 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL174489 | 1.00 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL29365085 | 1.00 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL1289311 | 1.00 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL17783 | 1.00 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL19520418 | 1.00 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL30885792 | 0.99 | DPP4 (0.98) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL572135 | 0.99 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL1533793 | 0.99 | DPP4 (1.00) | DPP4DPP8DPP9DPP7ACE | |
| Sitagliptin SCHEMBL18131636 | 0.98 | DPP4 (0.98) | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113430184-B | Transaminase and application thereof in preparation of sitagliptin | 台州酶易生物技术有限公司 | 2022-04-01 | — | — | CN | claimed |
| EP-4469459-A1 | PROCESS FOR PREPARING CRYSTALLINE SITAGLIPTIN HYDROCHLORIDE MONOHYDRATE | Zaklady Farmaceutyczne Polpharma S.A. (PL) | 2024-12-04 | — | — | EP | disclosed |
| EP-4422631-A1 | METHODS OF DOSING OF APICAL SODIUM-DEPENDENT BILE ACID TRANSPORTER INHIBITORS (ASBTIS) | Mirum Pharmaceuticals, Inc. (US) | 2024-09-04 | — | — | EP | disclosed |
| CN-118139623-A | Methods of administering apical sodium-dependent cholic acid transporter inhibitors (ASBTIs) | 米鲁姆制药公司 | 2024-06-04 | — | — | CN | disclosed |
| WO-2023139276-A1 | PROCESS FOR PREPARING CRYSTALLINE SITAGLIPTIN HYDROCHLORIDE MONOHYDRATE | ZAKLADY FARMACEUTYCZNE POLPHARMA S.A. (PL) | 2023-07-27 | — | — | WO | disclosed |
| CN-113481254-B | Preparation method of sitagliptin intermediate | 台州酶易生物技术有限公司 | 2023-05-26 | — | — | CN | disclosed |
| WO-2023076243-A1 | METHODS OF DOSING OF APICAL SODIUM-DEPENDENT BILE ACID TRANSPORTER INHIBITORS (ASBTIs) | MIRUM PHARMACEUTICALS, INC. (US) | 2023-05-04 | — | — | WO | disclosed |
| WO-2023012819-A1 | RECOMBINANT TRANSAMINASE POLYPEPTIDES | QUANTUMZYME LLP (IN) | 2023-02-09 | — | — | WO | disclosed |
| CN-105164263-B | Engineered transaminase polypeptides for industrial biocatalysis | 科德克希思公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-113430184-B | Transaminase and application thereof in preparation of sitagliptin | 台州酶易生物技术有限公司 | 2022-04-01 | — | — | CN | disclosed |
| EP-3958857-A1 | COMBINATION THERAPY WITH VILDAGLIPTIN AND METFORMIN | Novartis AG (CH) | 2022-03-02 | — | — | EP | disclosed |
| CN-114096268-A | Methods for increasing growth in pediatric subjects with cholestatic liver disease | 米鲁姆制药公司 | 2022-02-25 | — | — | CN | disclosed |
| CN-114072153-A | Methods for treating cholestasis | 米鲁姆制药公司 | 2022-02-18 | — | — | CN | disclosed |