Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.70 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.65 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.65 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.63 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.58 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.58 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | PLG | P00747 | 2/20 | 0.52 |
| ▸ | ELANE | P08246 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Benzquercin SCHEMBL1057326 | 0.90 | PPARG (0.66) | PPARGADORA3ACE2PLGELANE | |
| SCHEMBL20630735 | 0.88 | ADORA3 (0.69) | PPARGADORA3ACE2PLGELANE | |
| SCHEMBL31236659 | 0.88 | ADORA3 (0.69) | PPARGADORA3ACE2PLGELANE | |
| SCHEMBL11103179 | 0.86 | ABCG2 (0.77) | PPARGABCG2ABCB1ABCC1KDM4E | |
| SCHEMBL11129419 | 0.85 | ABCB1 (0.67) | PPARGABCG2ABCB1ABCC1MEN1 | |
| SCHEMBL4153233 | 0.85 | ABCG2 (0.63) | PPARGABCG2ABCB1ABCC1KDM4E | |
| SCHEMBL23965813 | 0.84 | PPARG (0.54) | PPARGADORA3ACE2PLGELANE | |
| SCHEMBL20631423 | 0.84 | ADORA3 (0.61) | PPARGADORA3ACE2PLGELANE | |
| SCHEMBL20631309 | 0.84 | ADORA3 (0.61) | PPARGADORA3ACE2PLGELANE | |
| SCHEMBL31236661 | 0.84 | ADORA3 (0.61) | PPARGADORA3ACE2PLGELANE |
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-1119353-A4 | COMPOSITIONS AND METHODS OF INHIBITING NEOPLASTIC DISEASES WITH COMPOUNDS RELATED TO LIMOCITRIN AND 5-DESMETHYL SINENSETIN | KGK SYNERGIZE INC (CA) | 2002-08-28 | — | — | EP | disclosed |
| EP-1119353-A1 | COMPOSITIONS AND METHODS OF INHIBITING NEOPLASTIC DISEASES WITH COMPOUNDS RELATED TO LIMOCITRIN AND 5-DESMETHYL SINENSETIN | KGK Synergize Inc. (CA) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000019998-A1 | COMPOSITIONS AND METHODS OF INHIBITING NEOPLASTIC DISEASES WITH COMPOUNDS RELATED TO LIMOCITRIN AND 5-DESMETHYL SINENSETIN | KGK SYNERGIZE (CA) | 2000-04-13 | — | — | WO | disclosed |