Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OAT | P04181 | 1/20 | 0.60 |
| ▸ | CES2 | O00748 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ABAT | P80404 | 1/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.31 |
| ▸ | GABRE | P78334 | 1/20 | 0.31 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.31 |
| ▸ | GABRG1 | Q8N1C3 | 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 | |
|---|---|---|---|---|
| SCHEMBL8041718 | 0.83 | OAT (0.41) | OAT | |
| SCHEMBL25918222 | 0.77 | OAT (0.62) | OATCES2TSHRLMNAABAT | |
| SCHEMBL6518383 | 0.77 | OAT (0.62) | OATCES2TSHRLMNAABAT | |
| SCHEMBL1355425 | 0.75 | OAT (0.60) | OATCES2TSHRLMNAABAT | |
| Gabaculine SCHEMBL22691967 | 0.75 | OAT (1.00) | OATCES2TSHRLMNAABAT | |
| Gabaculine SCHEMBL23622815 | 0.75 | OAT (1.00) | OATCES2TSHRLMNAABAT | |
| SCHEMBL6372307 | 0.75 | OAT (0.60) | OATCES2TSHRLMNAABAT | |
| Gabaculine SCHEMBL6237522 | 0.75 | OAT (1.00) | OATCES2TSHRLMNAABAT | |
| Gabaculine SCHEMBL23142324 | 0.73 | OAT (0.96) | OATCES2TSHRLMNAABAT | |
| SCHEMBL23622727 | 0.71 | OAT (0.55) | OATCES2TSHRLMNA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015040424-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AND THEIR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS | VERNALIS (R&D) LIMITED (GB) | 2015-03-26 | — | — | WO | disclosed |
| 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 |
| CN-1285350-A | 1-cyclenes tetraazolelinketone and the like | BAYER AGROCHEM KK (JP) | 2001-02-28 | — | — | CN | disclosed |
| CN-1061650-C | 1-cycloalkenyl tetrazolinones | BAYER AGROCHEM KK (JP) | 2001-02-07 | — | — | CN | disclosed |
| EP-0728750-B1 | 1-Cycloalkenyltetrazolinones | BAYER AGROCHEM KK (JP) | 2000-05-17 | — | — | EP | disclosed |
| US-5654257-A | HERBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 1997-08-05 | — | — | US | disclosed |
| CN-1134418-A | 1-cycloalkenyl tetrazolinones | BAYER AGROCHEM KK (JP) | 1996-10-30 | — | — | CN | disclosed |
| EP-0728750-A1 | 1-Cycloalkenyltetrazolinones | NIHON BAYER AGROCHEM K.K. (JP) | 1996-08-28 | — | — | EP | disclosed |