Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5236909 | 1.00 | PPARG (0.40) | PPARGHCAR2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL5236350 | 0.82 | PPARG (0.43) | PPARGBCHEALDH1A1HTTLMNA | |
| SCHEMBL5231539 | 0.75 | PPARG (0.37) | PPARGBCHEALDH1A1LMNATDP1 | |
| SCHEMBL5233528 | 0.74 | PPARG (0.36) | PPARGBCHEALDH1A1LMNATDP1 | |
| SCHEMBL5235374 | 0.74 | KLK7 (0.40) | PPARGEPHX2L3MBTL1CTSL | |
| SCHEMBL5235544 | 0.74 | BRD4 (0.37) | PPARGBCHE | |
| SCHEMBL5234267 | 0.70 | ITGA4 (0.33) | PPARGBCHELMNAEPHX2L3MBTL1 | |
| SCHEMBL16344671 | 0.69 | ALDH1A1 (0.67) | ALDH1A1HTTNPSR1LMNATDP1 | |
| SCHEMBL4310339 | 0.69 | TSHR (0.45) | BCHEALDH1A1LMNAEPHX2CYP3A4 | |
| SCHEMBL23285147 | 0.69 | ALDH1A1 (0.45) | BCHEALDH1A1LMNATDP1EPHX2 |
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-0990654-B1 | SUBSTITUTED CYCLOBUTYLAMINE DERIVATIVES | DAIICHI SANKYO CO LTD (JP) | 2007-11-14 | — | — | EP | disclosed |
| US-6448266-B1 | COMPOUNDS SUCH AS 2-AMINO-7-(3-(3-AMINO-1-FLUOROCYCLOBUTAN-3-YL)PYRROLIDIN-1-YL)-6-FLUORO-1-(2-FLUORO-1-CYCLOPROPYL)-8-METHYL-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID; ANTIBACTERIAL ACTIVITY; STAPHYLOCOCCUS, PNEUMOCOCCUS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2002-09-10 | — | — | US | disclosed |
| EP-0990654-A1 | SUBSTITUTED CYCLOBUTYLAMINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2000-04-05 | — | — | EP | disclosed |