Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4852887 | 1.00 | ALDH1A1 (0.42) | ALDH1A1KDM4EBCHEACHEHRH1 | |
| SCHEMBL4852586 | 0.91 | HTR7 (0.46) | ALDH1A1KDM4EBCHEACHEHRH1 | |
| SCHEMBL4850209 | 0.91 | HTR7 (0.46) | ALDH1A1KDM4EBCHEACHEHRH1 | |
| SCHEMBL4846157 | 0.90 | BCHE (0.42) | ALDH1A1KDM4EBCHEACHEHRH1 | |
| SCHEMBL4846112 | 0.89 | KDM4E (0.39) | ALDH1A1KDM4EBCHEACHEHRH1 | |
| SCHEMBL4852999 | 0.89 | PTGER1 (0.41) | ALDH1A1KDM4EBCHEACHEHRH1 | |
| SCHEMBL4854201 | 0.89 | PTGER1 (0.41) | ALDH1A1KDM4EBCHEACHEHRH1 | |
| SCHEMBL4847346 | 0.89 | KDM4E (0.39) | ALDH1A1KDM4EBCHEACHEHRH1 | |
| SCHEMBL4849737 | 0.87 | HRH1 (0.39) | ALDH1A1KDM4EBCHEACHEHRH1 | |
| SCHEMBL4847873 | 0.87 | HRH1 (0.39) | ALDH1A1KDM4EBCHEACHEHRH1 |
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 |