Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 2/20 | 0.51 |
| ▸ | PPARA | Q07869 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 5/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 5/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.47 |
| ▸ | GLS | O94925 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.45 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7296319 | 1.00 | PPARG (0.51) | PPARGPPARANFKB1NFKB2RELA | |
| SCHEMBL7320224 | 0.89 | PPARG (0.51) | PPARGPPARANFKB1NFKB2RELA | |
| SCHEMBL7320221 | 0.89 | PPARG (0.51) | PPARGPPARANFKB1NFKB2RELA | |
| SCHEMBL7320228 | 0.89 | PPARG (0.51) | PPARGPPARANFKB1NFKB2RELA | |
| SCHEMBL9254934 | 0.87 | PPARG (0.53) | PPARGPPARANFKB1NFKB2RELA | |
| SCHEMBL7289417 | 0.85 | GLS (0.57) | GABRA1GABRB2GLSMEN1KMT2A | |
| SCHEMBL7290004 | 0.85 | GLS (0.57) | GABRA1GABRB2GLSMEN1KMT2A | |
| SCHEMBL7289411 | 0.85 | GLS (0.57) | GABRA1GABRB2GLSMEN1KMT2A | |
| SCHEMBL11523391 | 0.83 | PPARG (0.65) | PPARGPPARANFKB1NFKB2RELA | |
| SCHEMBL433940 | 0.81 | CYP4F2 (0.50) | PPARGPPARANFKB1NFKB2RELA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6359138-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2002-03-19 | — | — | US | disclosed |
| EP-0846683-B1 | 4-Hydroxy-piperidine derivatives | HOFFMANN LA ROCHE (CH) | 2001-09-19 | — | — | EP | disclosed |
| EP-0846683-A1 | 4-Hydroxy-piperidine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1998-06-10 | — | — | EP | disclosed |
| EP-0145067-B1 | DERIVATIVES OF 2,2'-IMINOBISETHANOL | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-01-25 | — | — | EP | disclosed |
| US-4654362-A | CARDIOVASCULAR DISORDERS | JANSSEN PHARMACEUTICA, N.V. (BE) | 1987-03-31 | — | — | US | disclosed |
| EP-0145067-A2 | Derivatives of 2,2'-iminobisethanol | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-06-19 | — | — | EP | disclosed |