Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.60 |
| ▸ | MAPT | P10636 | 7/20 | 0.58 |
| ▸ | PDE4A | P27815 | 1/20 | 0.57 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.57 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | XDH | P47989 | 1/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL3688287 | 1.00 | ABCG2 (0.60) | ABCG2MAPTPDE4APDE4BPDE4C | |
| SCHEMBL3694918 | 0.95 | ABCG2 (0.59) | ABCG2MAPTPDE4APDE4BPDE4C | |
| SCHEMBL3697030 | 0.95 | ABCG2 (0.59) | ABCG2MAPTPDE4APDE4BPDE4C | |
| SCHEMBL3697931 | 0.92 | MAPT (0.57) | ABCG2MAPTPDE4APDE4BPDE4C | |
| SCHEMBL3684123 | 0.92 | MAPT (0.57) | ABCG2MAPTPDE4APDE4BPDE4C | |
| SCHEMBL3688290 | 0.88 | MAPT (0.58) | ABCG2MAPTPDE4APDE4BPDE4C | |
| SCHEMBL3687942 | 0.87 | MAPT (0.56) | ABCG2MAPTPDE4APDE4BPDE4C | |
| SCHEMBL3682374 | 0.87 | MAPT (0.56) | ABCG2MAPTPDE4APDE4BPDE4C | |
| SCHEMBL3684125 | 0.86 | PDE4A (0.57) | ABCG2MAPTPDE4APDE4BPDE4C | |
| SCHEMBL3694922 | 0.83 | MAPT (0.57) | ABCG2MAPTPDE4APDE4BPDE4C |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060235073-A1 | Diamino-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2006-10-19 | — | — | US | claimed |
| EP-1506158-A2 | DIAMINO-FUNCTIONAL CHALCONES | Lica Pharmaceuticals A/S (DK) | 2005-02-16 | — | — | EP | claimed |
| WO-2003097576-A2 | DIAMINO-FUNCTIONAL CHALCONES | LICA PHARMACEUTICALS A/S (DK) | 2003-11-27 | — | — | WO | claimed |
| US-7642367-B2 | Diamino-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2010-01-05 | — | — | US | disclosed |
| US-20060235073-A1 | Diamino-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2006-10-19 | — | — | US | disclosed |