Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30228339 | 0.85 | PTGS2 (0.38) | PTGS2LMNASMN1; SMN2NPC1RAB9A | |
| SCHEMBL28227446 | 0.83 | USP7 (0.39) | PTGS2LMNANPC1RAB9AALDH1A1 | |
| SCHEMBL28226591 | 0.82 | PTGS2 (0.34) | PTGS2LMNA | |
| SCHEMBL28226658 | 0.80 | PTGS2 (0.54) | PTGS2L3MBTL1LMNASMN1; SMN2NPC1 | |
| SCHEMBL3305547 | 0.76 | CYP1A2 (0.49) | OPRM1L3MBTL1LMNASMN1; SMN2NPC1 | |
| SCHEMBL28226595 | 0.76 | ALDH1A1 (0.42) | PTGS2LMNANPC1RAB9AALDH1A1 | |
| SCHEMBL25345642 | 0.75 | MAPT (0.45) | OPRM1L3MBTL1LMNASMN1; SMN2NPC1 | |
| SCHEMBL8140922 | 0.74 | PTGS2 (0.30) | PTGS2 | |
| SCHEMBL18693106 | 0.74 | OPRM1 (0.41) | OPRM1L3MBTL1LMNASMN1; SMN2NPC1 | |
| SCHEMBL10768639 | 0.73 | LMNA (0.42) | OPRM1L3MBTL1LMNAALDH1A1MAPT |
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-108203450-B | Preparation method and application of amino phosphonate containing arylpyrazole compound | 南京工业大学 | 2020-05-19 | — | — | CN | disclosed |
| CN-104829538-B | Pyrazole compound containing chrysanthemic acid structure, preparation method and application | 南京工业大学 | 2018-10-16 | — | — | CN | disclosed |
| CN-108203450-A | Preparation method and application of amino phosphonate containing arylpyrazole compound | 南京工业大学 | 2018-06-26 | — | — | CN | disclosed |