Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.63 |
| ▸ | MAPT | P10636 | 5/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | TNKS | O95271 | 1/20 | 0.57 |
| ▸ | GUSB | P08236 | 1/20 | 0.57 |
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | CASP3 | P42574 | 1/20 | 0.57 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.57 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.57 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29310490 | 0.86 | GSK3B (0.79) | GSK3BKDM4EMAPTALDH1A1KMT2A | |
| SCHEMBL4822785 | 0.86 | GSK3B (0.84) | GSK3BKDM4EMAPTALDH1A1MEN1 | |
| SCHEMBL28132422 | 0.84 | GSK3B (0.70) | GSK3BKDM4EMAPTALDH1A1MEN1 | |
| SCHEMBL23054678 | 0.80 | GSK3B (0.65) | GSK3BKDM4EMAPTALDH1A1MEN1 | |
| SCHEMBL5381549 | 0.79 | GSK3B (1.00) | GSK3BMAPTALDH1A1HSD17B10POLB | |
| SCHEMBL10369738 | 0.79 | MAPK1 (0.67) | KDM4EMAPTALDH1A1KMT2AHSD17B10 | |
| SCHEMBL28325219 | 0.79 | POLB (0.64) | KDM4EMAPTALDH1A1MEN1HTT | |
| SCHEMBL5391583 | 0.79 | GSK3B (0.67) | GSK3BNPC1RAB9A | |
| SCHEMBL7228356 | 0.77 | GSK3B (0.69) | GSK3BRAB9ATNKSTNKS2HPGD | |
| SCHEMBL28671719 | 0.77 | NPC1 (0.59) | KDM4EMAPTALDH1A1MEN1KMT2A |
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-106496130-B | A kind of methyl ketone derivatives and the preparation method and application thereof | 苏州大学 | 2019-09-20 | — | — | CN | disclosed |
| CN-106496130-A | A kind of methyl ketone derivatives and preparation method and application | 苏州大学 | 2017-03-15 | — | — | CN | disclosed |