Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PI4KA | P42356 | 1/20 | 0.37 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.37 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28226658 | 0.83 | PTGS2 (0.54) | ALDH1A1PTGS2MAPTNPC1RAB9A | |
| SCHEMBL244194 | 0.82 | MAPK1 (0.56) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL28227459 | 0.82 | ALDH1A1 (0.42) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL17196433 | 0.79 | ALDH1A1 (0.40) | ALDH1A1PTGS2MAPTMAPK1NPC1 | |
| SCHEMBL10929795 | 0.76 | ALDH1A1 (0.71) | ALDH1A1MAPK1NPC1RAB9ACYP1A2 | |
| SCHEMBL28393099 | 0.76 | PTGS2 (0.40) | ALDH1A1PTGS2MAPTNPC1RAB9A | |
| SCHEMBL29083293 | 0.74 | XDH (0.42) | PTGS2MAPTMAPK1NPC1RAB9A | |
| SCHEMBL4648694 | 0.74 | ALDH1A1 (0.46) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL28227470 | 0.74 | LOXL2 (0.42) | ALDH1A1PTGS2MAPTMAPK1NPC1 | |
| SCHEMBL28248341 | 0.74 | MAPT (0.49) | ALDH1A1MAPTMAPK1CYP1A2CYP2C19 |
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 2 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-108203450-A | Preparation method and application of amino phosphonate containing arylpyrazole compound | 南京工业大学 | 2018-06-26 | — | — | CN | disclosed |