Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL18865816 | 0.84 | MAPT (0.42) | LOXL2CYP1A2LMNAPTGS2SMN1; SMN2 | |
| SCHEMBL18865813 | 0.83 | CYP1A2 (0.41) | LOXL2CYP1A2LMNAPOLBPTGS2 | |
| SCHEMBL29083293 | 0.82 | XDH (0.42) | CYP1A2LMNAPTGS2SMN1; SMN2NPC1 | |
| SCHEMBL28395393 | 0.81 | MAPT (0.57) | CYP1A2LMNAPOLBSMN1; SMN2NPC1 | |
| SCHEMBL28284102 | 0.81 | LMNA (0.41) | CYP1A2LMNAPOLBPTGS2SMN1; SMN2 | |
| SCHEMBL28226658 | 0.81 | PTGS2 (0.54) | CYP1A2LMNAPOLBPTGS2SMN1; SMN2 | |
| SCHEMBL244194 | 0.80 | MAPK1 (0.56) | CYP1A2LMNAPOLBSMN1; SMN2NPC1 | |
| SCHEMBL28400665 | 0.78 | LMNA (0.65) | LMNAPOLBPTGS2SMN1; SMN2NPC1 | |
| SCHEMBL28393672 | 0.77 | NPY5R (0.41) | LMNAPTGS2MEN1KMT2ACYP2C9 | |
| SCHEMBL28248341 | 0.75 | MAPT (0.49) | CYP1A2LMNASMN1; SMN2MAPTCYP2C19 |
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-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 |