Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 2/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4855876 | 1.00 | ABCG2 (0.48) | ABCG2MAPTLMNAGAAATM | |
| SCHEMBL4852466 | 0.90 | MAPT (0.42) | ABCG2MAPTLMNAGAAATM | |
| SCHEMBL4846630 | 0.90 | MAPT (0.42) | ABCG2MAPTLMNAGAAATM | |
| SCHEMBL4855883 | 0.89 | HPGD (0.52) | ABCG2MAPTLMNAGAAATM | |
| SCHEMBL4854910 | 0.88 | MAPT (0.49) | ABCG2MAPTLMNAGAAATM | |
| SCHEMBL4849955 | 0.88 | MAPT (0.49) | ABCG2MAPTLMNAGAAATM | |
| SCHEMBL4847380 | 0.88 | KDM4E (0.45) | ABCG2MAPTLMNAGAAATM | |
| SCHEMBL4848181 | 0.88 | KDM4E (0.45) | ABCG2MAPTLMNAGAAATM | |
| SCHEMBL4854487 | 0.87 | SLC6A9 (0.46) | MAPTLMNAGAAATMSMN1; SMN2 | |
| SCHEMBL4857394 | 0.87 | SLC6A9 (0.46) | MAPTLMNAGAAATMSMN1; SMN2 |
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 1 patent. 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 |