Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21315004 | 0.86 | — | — | |
| SCHEMBL754743 | 0.76 | NPC1 (0.40) | CES2CES1EPHX1EPHX2NPC1 | |
| SCHEMBL6043694 | 0.76 | NPC1 (0.40) | CES2CES1EPHX1EPHX2NPC1 | |
| SCHEMBL4754505 | 0.75 | GABRA5 (0.41) | EPHX1CYP3A4 | |
| SCHEMBL809692 | 0.75 | CES2 (0.35) | CES2CES1EPHX1NPC1RAB9A | |
| SCHEMBL8393922 | 0.75 | CES2 (0.35) | CES2CES1EPHX1GRIK1 | |
| SCHEMBL814591 | 0.75 | CES2 (0.35) | CES2CES1EPHX1NPC1RAB9A | |
| SCHEMBL6043876 | 0.74 | EPHX1 (0.41) | CES2CES1EPHX1EPHX2NPC1 | |
| SCHEMBL7523411 | 0.74 | CES2 (0.38) | CES2CES1EPHX1EPHX2NPC1 | |
| SCHEMBL176778 | 0.74 | EPHX1 (0.41) | CES2CES1EPHX1EPHX2NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105308036-B | The Compounds and methods for and its indication adjusted for kinases | 普莱希科公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-105073747-B | Heterocyclic compounds and their use | 普莱希科公司 | 2017-06-06 | — | — | CN | disclosed |
| CN-104981247-A | Compounds and methods for kinase modulation, and indications therefor | PLEXXIKON INC | 2015-10-14 | — | — | CN | disclosed |