Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 6/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | CRHBP | P24387 | 1/20 | 0.55 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | BCL9 | O00512 | 1/20 | 0.51 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL18689537 | 1.00 | PTGS2 (0.58) | PTGS2MAPTL3MBTL1CRHBPCRHR2 | |
| SCHEMBL831490 | 1.00 | PTGS2 (0.58) | PTGS2MAPTL3MBTL1CRHBPCRHR2 | |
| SCHEMBL6336850 | 0.94 | PTGS2 (0.60) | PTGS2MAPTL3MBTL1CRHBPCRHR2 | |
| SCHEMBL3026910 | 0.90 | PTGS2 (0.62) | PTGS2MAPTL3MBTL1CRHBPCRHR2 | |
| SCHEMBL16261894 | 0.87 | BCL9 (0.64) | MAPTL3MBTL1CRHBPCRHR2HRH3 | |
| SCHEMBL4275826 | 0.86 | HDAC1 (0.56) | MAPTL3MBTL1KMT2AALDH1A1 | |
| SCHEMBL5467715 | 0.86 | MAPT (0.69) | PTGS2MAPTL3MBTL1CRHBPCRHR2 | |
| SCHEMBL7634106 | 0.86 | HDAC3 (0.63) | PTGS2MAPTL3MBTL1CRHBPCRHR2 | |
| SCHEMBL7369987 | 0.85 | BCL9 (0.52) | PTGS2MAPTL3MBTL1CRHBPCRHR2 | |
| SCHEMBL18631907 | 0.85 | BCL9 (0.52) | PTGS2MAPTL3MBTL1CRHBPCRHR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107619407-A | Double target spot inhibitor of HDAC and VEGFR based on pazopanib structure and its preparation method and application | 山东大学 | 2018-01-23 | — | — | CN | claimed |
| CN-107619407-B | Bis- target spot inhibitor of HDAC and VEGFR based on pazopanib structure and its preparation method and application | 山东大学 | 2019-05-24 | — | — | CN | disclosed |
| CN-107619407-A | Double target spot inhibitor of HDAC and VEGFR based on pazopanib structure and its preparation method and application | 山东大学 | 2018-01-23 | — | — | CN | disclosed |