Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | SRC | P12931 | 2/20 | 0.54 |
| ▸ | CDC7 | O00311 | 1/20 | 0.54 |
| ▸ | PLK4 | O00444 | 1/20 | 0.54 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.54 |
| ▸ | AURKA | O14965 | 1/20 | 0.54 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.54 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.54 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.54 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.54 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.54 |
| ▸ | JAK2 | O60674 | 1/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.54 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28403964 | 1.00 | KDM4E (0.60) | KDM4ESMN1; SMN2POLBMAPTTP53 | |
| SCHEMBL22566549 | 0.88 | TSHR (0.63) | SMN1; SMN2POLBMAPTTP53NPC1 | |
| SCHEMBL28400450 | 0.84 | HDAC3 (0.54) | KDM4ESMN1; SMN2POLBTP53RAB9A | |
| SCHEMBL29862908 | 0.84 | HDAC3 (0.54) | KDM4ESMN1; SMN2POLBTP53RAB9A | |
| SCHEMBL28397320 | 0.83 | TP53 (0.52) | KDM4ESMN1; SMN2POLBTP53NPC1 | |
| SCHEMBL29863344 | 0.83 | TP53 (0.52) | KDM4ESMN1; SMN2POLBTP53NPC1 | |
| SCHEMBL29862939 | 0.82 | KMT2A (0.56) | KDM4EPOLBMAPTNPC1RAB9A | |
| SCHEMBL28401956 | 0.82 | TP53 (0.53) | KDM4ESMN1; SMN2MAPTTP53NPC1 | |
| SCHEMBL28396447 | 0.82 | KMT2A (0.56) | KDM4EPOLBMAPTNPC1RAB9A | |
| SCHEMBL29862961 | 0.82 | TP53 (0.53) | KDM4ESMN1; SMN2MAPTTP53NPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111057015-B | 2- (4-phenyl-1H-1, 2, 3-triazole-1-yl) acetic acid and acethydrazide compounds | 中国医科大学 | 2022-09-16 | — | — | CN | disclosed |