Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 10/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.32 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12984764 | 0.84 | HDAC1 (0.40) | HDAC1HDAC8DPP4MMP2MMP1 | |
| SCHEMBL29819673 | 0.84 | HDAC1 (0.40) | HDAC1HDAC8DPP4MMP2MMP1 | |
| SCHEMBL22527896 | 0.83 | NPC1 (0.38) | HDAC1HDAC8GSK3B | |
| SCHEMBL29362137 | 0.81 | CXCL8 (0.43) | HDAC1HDAC8DPP4MMP2MMP1 | |
| SCHEMBL332576 | 0.81 | CXCL8 (0.43) | HDAC1HDAC8DPP4MMP2MMP1 | |
| SCHEMBL26125591 | 0.80 | ATM (0.41) | MMP2CA1ALDH1A1 | |
| SCHEMBL29140954 | 0.79 | CXCL8 (0.42) | HDAC1HDAC8DPP4MMP2MMP1 | |
| SCHEMBL30734413 | 0.79 | CXCL8 (0.42) | HDAC1HDAC8DPP4MMP2MMP1 | |
| SCHEMBL20185996 | 0.79 | CYP3A4 (0.44) | HDAC1HDAC8DPP4MMP2MMP1 | |
| SCHEMBL835045 | 0.79 | IDO1 (0.46) | GSK3BCES2CES1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| CN-103910634-B | The preparation method of sitagliptin intermediate | 广东东阳光药业有限公司 | 2018-04-27 | — | — | CN | claimed |
| CN-119039260-A | Epigenetic medicine for enhancing anticancer effect of pali antitumor agent and application thereof | 山东铂源药业股份有限公司 | 2024-11-29 | — | — | CN | disclosed |
| CN-117776910-A | Preparation method of sitagliptin intermediate | 帕潘纳(北京)科技有限公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-111039900-B | Preparation method of 1-morpholine-4- (2, 4, 5-trifluoro-phenyl) butane-1, 3-dione | 弈柯莱生物科技(集团)股份有限公司 | 2023-12-22 | — | — | 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-111039901-B | Process for producing 1, 3-dicarbonyl compound and intermediate thereof | 弈柯莱生物科技(上海)股份有限公司 | 2022-10-11 | — | — | CN | disclosed |
| CN-107311862-B | Preparation method of sitagliptin intermediate | 南京红杉生物科技有限公司 | 2020-06-19 | — | — | CN | disclosed |
| CN-111039900-A | Preparation method of 1-morpholine-4- (2,4, 5-trifluorophenyl) butane-1, 3-dione | 上海弈柯莱生物医药科技有限公司 | 2020-04-21 | — | — | CN | disclosed |
| CN-111039901-A | Process for producing 1, 3-dicarbonyl compound and intermediate thereof | 上海弈柯莱生物医药科技有限公司 | 2020-04-21 | — | — | CN | disclosed |
| CN-103910634-B | The preparation method of sitagliptin intermediate | 广东东阳光药业有限公司 | 2018-04-27 | — | — | CN | disclosed |