Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.36 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.35 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PTPN7 | P35236 | 3/20 | 0.34 |
| ▸ | HMGCR | P04035 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13978172 | 0.79 | — | — | |
| SCHEMBL10739303 | 0.76 | KDM4E (0.43) | PAOXKDM4EMAPK1HIF1ATSHR | |
| Bicarbonate SCHEMBL165177 | 0.75 | GRIK1 (0.47) | KDM4EGRIK1GRIK2EPHX2ALDH1A1 | |
| Bicarbonate SCHEMBL15968046 | 0.75 | GRIK1 (0.47) | KDM4EGRIK1GRIK2EPHX2ALDH1A1 | |
| SCHEMBL935043 | 0.74 | — | — | |
| SCHEMBL85842 | 0.74 | — | — | |
| SCHEMBL9029974 | 0.72 | — | — | |
| SCHEMBL7442539 | 0.72 | — | — | |
| SCHEMBL26448806 | 0.72 | — | — | |
| SCHEMBL17188612 | 0.72 | — | — |
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-2024147972-A2 | DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF | THOMAS JEFFERSON UNIVERSITY (US) | 2024-07-11 | — | — | WO | disclosed |