Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | HPGD | P15428 | 5/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | ERCC1 | P07992 | 4/20 | 0.51 |
| ▸ | FEN1 | P39748 | 4/20 | 0.51 |
| ▸ | ERCC4 | Q92889 | 4/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1581142 | 0.89 | ERCC1 (0.52) | KDM4EHPGDPKMERCC1FEN1 | |
| SCHEMBL1580690 | 0.83 | HDAC3 (0.46) | KDM4EHPGDPKMERCC1FEN1 | |
| SCHEMBL21623639 | 0.79 | HDAC3 (0.60) | KDM4EHPGDPKMERCC1FEN1 | |
| SCHEMBL28391182 | 0.76 | HDAC6 (0.75) | KDM4EHPGDERCC1FEN1ERCC4 | |
| SCHEMBL29576620 | 0.76 | HDAC6 (0.75) | KDM4EHPGDERCC1FEN1ERCC4 | |
| SCHEMBL2313590 | 0.75 | PBK (0.63) | ERCC1FEN1ERCC4HDAC3HDAC1 | |
| SCHEMBL3557353 | 0.75 | KDM4E (0.55) | KDM4EHPGDPKMERCC1FEN1 | |
| SCHEMBL2340010 | 0.74 | PBK (0.60) | KDM4EHPGDERCC1FEN1ERCC4 | |
| SCHEMBL1580887 | 0.74 | PBK (0.66) | KDM4EHPGDERCC1FEN1ERCC4 | |
| SCHEMBL1580860 | 0.72 | ERCC1 (0.46) | KDM4EHPGDPKMERCC1FEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010014794-A1 | BENZOIMIDAZOLE DERIVATIVES AND GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2010-02-04 | — | — | WO | disclosed |