Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 6/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 4/20 | 0.46 |
| ▸ | IDH1 | O75874 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.45 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.45 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4854287 | 0.90 | PTPN1 (0.55) | CAPN1BCHEACHECTSLCTSB | |
| SCHEMBL4854982 | 0.87 | KDM4E (0.47) | KDM4EBCHEACHEPTPN1CYP1A1 | |
| SCHEMBL4852544 | 0.85 | KDM4E (0.47) | KDM4ECAPN1PTPN1CYP1A1CYP1B1 | |
| SCHEMBL4849818 | 0.82 | KDM4E (0.51) | KDM4ECAPN1BCHEACHELMNA | |
| SCHEMBL4848121 | 0.82 | BCHE (0.55) | KDM4ECAPN1BCHEACHECTSL | |
| SCHEMBL4849756 | 0.82 | KDM4E (0.51) | KDM4ECAPN1BCHEACHELMNA | |
| SCHEMBL4852218 | 0.81 | CAPN1 (0.50) | CAPN1BCHEACHECTSLCTSB | |
| SCHEMBL7186672 | 0.80 | CYP1A1 (0.50) | CAPN1PTPN1CYP1A1CYP1B1DPP4 | |
| SCHEMBL4855894 | 0.79 | KDM4E (0.48) | KDM4EBCHEACHECYP1A1CYP1B1 | |
| SCHEMBL7179055 | 0.79 | LMNA (0.49) | KDM4ECAPN1PTPN1CYP1A1CYP1B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20050227990-A1 | Aminoalkoxy-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2005-10-13 | — | — | US | claimed |
| 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 |