Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4852523 | 1.00 | ABCG2 (0.56) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL4846957 | 0.95 | ABCG2 (0.57) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL4853820 | 0.95 | ABCG2 (0.57) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL4854277 | 0.87 | MAPT (0.61) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL4853019 | 0.87 | MAPT (0.61) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 | |
| SCHEMBL4857305 | 0.87 | ABCG2 (0.59) | ABCG2KEAP1NFE2L2MAOBBCHE | |
| SCHEMBL4852947 | 0.87 | ABCG2 (0.59) | ABCG2KEAP1NFE2L2MAOBBCHE | |
| SCHEMBL4846703 | 0.87 | KEAP1 (0.65) | CYP1A1CYP1A2CYP2D6CYP1B1CYP3A4 | |
| SCHEMBL4850077 | 0.87 | KEAP1 (0.65) | CYP1A1CYP1A2CYP2D6CYP1B1CYP3A4 | |
| SCHEMBL4855944 | 0.82 | ABCG2 (0.69) | ABCG2CYP1A1CYP1A2CYP2D6CYP1B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7423181-B2 | in particular against bacterial and parasitic infections, fungi, and helminths; improved metabolic and physiochemical properties, bioavailability, solubility; 3-[4-(2-Dimethylamino-ethoxy)-2'-trifluoromethyl-biphenyl-3-yl]-1-(2-dimethylaminomethyl-phenyl)-propenone | LICA PHARMACEUTICALS A/S (DK) | 2008-09-09 | — | — | US | disclosed |
| US-20050227990-A1 | Aminoalkoxy-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2005-10-13 | — | — | US | disclosed |