Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 6/20 | 0.40 |
| ▸ | PPARG | P37231 | 4/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9621234 | 0.88 | TP53 (0.44) | S1PR1S1PR3PPARDKDM4EPOLB | |
| SCHEMBL5694242 | 0.84 | S1PR1 (0.46) | S1PR1S1PR3PPARDPPARGPPARA | |
| SCHEMBL346265 | 0.83 | CYP11B1 (0.51) | KDM4EHSD17B10CYP11B1CYP11B2 | |
| SCHEMBL8064409 | 0.79 | MAOB (0.51) | S1PR1S1PR3KDM4EPOLBNR4A2 | |
| SCHEMBL9621186 | 0.78 | CYP11B1 (0.38) | S1PR1S1PR3KDM4EHSD17B10CYP11B1 | |
| SCHEMBL5694131 | 0.78 | THRB (0.44) | S1PR1S1PR3PPARDPPARGPPARA | |
| SCHEMBL5694144 | 0.74 | S1PR1 (0.42) | S1PR1S1PR3PPARDPPARGPPARA | |
| SCHEMBL10071529 | 0.73 | HRH3 (0.50) | PPARDPPARGPPARAKDM4EPOLB | |
| SCHEMBL18682671 | 0.72 | CYP11B1 (0.49) | KDM4ECYP11B1CYP11B2 | |
| SCHEMBL8484091 | 0.72 | NOTUM (0.38) | KDM4EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0284359-B1 | 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1992-01-08 | — | — | EP | disclosed |
| US-4880809-A | HYPOTENSIVE AGENTS, AMIDE DERIVATIVES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-11-14 | — | — | US | disclosed |
| EP-0284359-A1 | 1,4-Disubstituted piperazine compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1988-09-28 | — | — | EP | disclosed |