Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MELK | Q14680 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | TYK2 | P29597 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3696108 | 0.83 | ALDH1A1 (0.50) | ALDH1A1HTR3AMAPK1ADRA2CTSHR | |
| SCHEMBL3686236 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPK1TSHR | |
| SCHEMBL3690173 | 0.76 | ALDH1A1 (0.59) | ALDH1A1HTR3ASMN1; SMN2MAPTMAPK1 | |
| SCHEMBL29442412 | 0.76 | ALDH1A1 (0.64) | ALDH1A1HTR3AMAPTMAPK1ADRA2C | |
| SCHEMBL1444185 | 0.76 | ALDH1A1 (0.64) | ALDH1A1HTR3AMAPTMAPK1ADRA2C | |
| SCHEMBL30108214 | 0.76 | HTR1A (0.64) | ALDH1A1HTR3ASMN1; SMN2MAPK1ADRA2C | |
| SCHEMBL22579268 | 0.74 | ALDH1A1 (0.89) | ALDH1A1SMN1; SMN2MAPTMAOAMAOB | |
| SCHEMBL30108226 | 0.73 | MELK (0.60) | ALDH1A1HTR3ASMN1; SMN2NPC1MAPT | |
| SCHEMBL1664238 | 0.73 | ALDH1A1 (0.55) | ALDH1A1NPC1MAPTRAB9APOLB | |
| SCHEMBL7902633 | 0.73 | ALDH1A1 (0.55) | ALDH1A1NPC1MAPTRAB9APOLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1506158-A2 | DIAMINO-FUNCTIONAL CHALCONES | Lica Pharmaceuticals A/S (DK) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003097576-A2 | DIAMINO-FUNCTIONAL CHALCONES | LICA PHARMACEUTICALS A/S (DK) | 2003-11-27 | — | — | WO | disclosed |