Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | GPR3 | P46089 | 1/20 | 0.50 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17194216 | 0.85 | GPR3 (0.53) | ALDH1A1CYP1A2HPGDGPR3NUDT1 | |
| SCHEMBL17904025 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP1A2HPGDGPR3NUDT1 | |
| SCHEMBL14842813 | 0.81 | ALDH1A1 (0.49) | ALDH1A1CYP1A2HPGDGPR3NUDT1 | |
| SCHEMBL14985883 | 0.79 | GPR3 (0.55) | ALDH1A1CYP1A2HPGDGPR3NUDT1 | |
| SCHEMBL27871640 | 0.78 | TLR8 (0.52) | ALDH1A1CYP1A2HPGDGPR3NUDT1 | |
| SCHEMBL27871518 | 0.78 | TLR8 (0.52) | ALDH1A1CYP1A2HPGDGPR3NUDT1 | |
| SCHEMBL637147 | 0.78 | GPR3 (0.53) | ALDH1A1CYP1A2HPGDGPR3NUDT1 | |
| SCHEMBL16432784 | 0.78 | GPR3 (0.53) | ALDH1A1CYP1A2HPGDGPR3NUDT1 | |
| SCHEMBL29693664 | 0.78 | GPR3 (0.53) | ALDH1A1CYP1A2HPGDGPR3NUDT1 | |
| SCHEMBL19988074 | 0.78 | GPR3 (0.53) | ALDH1A1CYP1A2HPGDGPR3NUDT1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105367572-B | A kind of intermediate for preparing the compound as 4 inhibitor of dipeptidyl peptidase | 浙江永太科技股份有限公司 | 2017-03-29 | — | — | CN | disclosed |
| CN-105503873-B | Preparation method of chemical compound serving as DPP-IV (dipeptidyl peptidase-4) inhibitor | 浙江永太科技股份有限公司 | 2017-03-22 | — | — | CN | disclosed |
| CN-104478880-B | As the Biguanide derivative of DPP-IV inhibitor | ZHEJIANG YONGTAI TECHNOLOGY CO., LTD. (CN) | 2016-03-02 | — | — | CN | disclosed |
| CN-104478880-A | Biguanide derivative as DPP-IV (dipeptidyl peptidase-4) inhibitor | ZHEJIANG YONGTAI TECHNOLOGY CO LTD | 2015-04-01 | — | — | CN | disclosed |