Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OAT | P04181 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10777579 | 0.75 | OAT (0.37) | OATPOLBKDM4EL3MBTL1HTT | |
| SCHEMBL1355425 | 0.75 | OAT (0.60) | OATPOLBKDM4EL3MBTL1 | |
| Hydrochloric Acid SCHEMBL11526635 | 0.73 | OAT (0.36) | OATPOLBKDM4EL3MBTL1 | |
| SCHEMBL29190883 | 0.71 | OAT (0.34) | OAT | |
| SCHEMBL12491668 | 0.69 | OAT (0.53) | OATPOLBKDM4EL3MBTL1 | |
| SCHEMBL12491595 | 0.68 | OAT (0.52) | OATPOLBKDM4EL3MBTL1HTT | |
| SCHEMBL28247758 | 0.68 | OAT (0.52) | OATPOLBKDM4EL3MBTL1HTT | |
| SCHEMBL12491593 | 0.68 | OAT (0.52) | OATPOLBKDM4EL3MBTL1HTT | |
| SCHEMBL28247736 | 0.68 | OAT (0.52) | OATPOLBKDM4EL3MBTL1HTT | |
| SCHEMBL11229629 | 0.66 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015040425-A1 | RESORCINOL N-ARYL AMIDE COMPOUNDS, FOR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS | VERNALIS (R&D) LIMITED (GB) | 2015-03-26 | — | — | WO | disclosed |
| WO-2015040424-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AND THEIR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS | VERNALIS (R&D) LIMITED (GB) | 2015-03-26 | — | — | WO | disclosed |
| EP-0417690-A2 | Aromatization process | OCCIDENTAL CHEMICAL CORPORATION (US) | 1991-03-20 | — | — | EP | disclosed |
| US-4968830-A | HALOGENATIVE DEHYDROGENATION | OCCIDENTAL CHEMICAL CORPORATION (US) | 1990-11-06 | — | — | US | disclosed |