Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 3/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL725284 | 1.00 | DPP4 (0.41) | DPP4HSP90AB1HDAC1HDAC8RORC | |
| SCHEMBL30633059 | 0.87 | HSP90AB1 (0.46) | DPP4HSP90AB1HDAC1HDAC8RORC | |
| SCHEMBL5084281 | 0.87 | HSP90AB1 (0.46) | DPP4HSP90AB1HDAC1HDAC8RORC | |
| SCHEMBL8047209 | 0.87 | RORC (0.34) | DPP4HSP90AB1RORCSMN1; SMN2MTNR1A | |
| SCHEMBL411643 | 0.85 | GAA (0.44) | DPP4HDAC1HDAC8SMN1; SMN2GAA | |
| SCHEMBL28301761 | 0.83 | MTNR1A (0.48) | DPP4HDAC1HDAC8RORCMTNR1A | |
| SCHEMBL28667462 | 0.83 | TSHR (0.39) | DPP4HDAC1HDAC8SMN1; SMN2KMT2A | |
| SCHEMBL28259907 | 0.82 | FAAH (0.40) | DPP4HDAC1HDAC8SMN1; SMN2MMP2 | |
| SCHEMBL12187861 | 0.81 | HDAC1 (0.40) | DPP4HDAC1HDAC8MTNR1AMTNR1B | |
| SCHEMBL15778100 | 0.81 | IDO1 (0.46) | SMN1; SMN2ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111718353-B | Preparation method of sitagliptin phosphate | 许昌恒生制药有限公司 | 2023-02-10 | — | — | CN | claimed |
| CN-120040456-A | Method for preparing sitagliptin phosphate | 杭州新曦科技有限公司 | 2025-05-27 | — | — | CN | disclosed |
| CN-118530957-A | Transaminase mutant and application thereof in synthesis of sitagliptin or intermediate | 浙江工业大学 | 2024-08-23 | — | — | CN | disclosed |
| CN-116947638-A | Method for preparing sitagliptin intermediate by one-pot method | 淄博飞源化工有限公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-115974683-A | Method for synthesizing sitagliptin intermediate by using continuous flow | 南京天越星生物技术有限公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-111718353-B | Preparation method of sitagliptin phosphate | 许昌恒生制药有限公司 | 2023-02-10 | — | — | CN | disclosed |
| CN-111718353-B | Preparation method of sitagliptin phosphate | 许昌恒生制药有限公司 | 2023-02-10 | — | — | CN | disclosed |
| CN-115583935-A | Preparation method of 4- (2, 4, 5-trifluorophenyl) -3-oxybutyrate ester | 浙江工业大学 | 2023-01-10 | — | — | CN | disclosed |