Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27854290 | 0.74 | HTR2B (0.39) | KDM4EALDH1A1NPC1RAB9AMAPK1 | |
| SCHEMBL25348264 | 0.73 | VHL (0.58) | KDM4EALDH1A1KMT2A | |
| SCHEMBL926914 | 0.72 | KDM4E (0.55) | KDM4EPDPK1ALDH1A1TDO2HSD17B10 | |
| SCHEMBL25346034 | 0.71 | VHL (0.38) | KDM4EALDH1A1HSD17B10MAPK1 | |
| SCHEMBL25346029 | 0.71 | VHL (0.38) | KDM4EALDH1A1HSD17B10MAPK1 | |
| SCHEMBL13616783 | 0.71 | KDM4E (0.53) | KDM4EPDPK1ALDH1A1NPC1RAB9A | |
| SCHEMBL679793 | 0.71 | KDM4E (0.53) | KDM4EPDPK1ALDH1A1NPC1RAB9A | |
| SCHEMBL9835729 | 0.71 | KDM4E (0.58) | KDM4EPDPK1ALDH1A1HSD17B10 | |
| SCHEMBL27217226 | 0.71 | KDM4E (0.53) | KDM4EPDPK1ALDH1A1NPC1RAB9A | |
| SCHEMBL2097336 | 0.71 | KDM4E (0.53) | KDM4EPDPK1ALDH1A1NPC1RAB9A |
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-2017114377-A1 | BENZYL HETEROCYCLIC COMPOUND DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2017-07-06 | — | — | WO | disclosed |