Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.37 |
| ▸ | UNG | P13051 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.35 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9100365 | 0.82 | ALDH3A1 (0.46) | ALDH1A1CYP2A6CYP2A13UNGMAOA | |
| SCHEMBL7282575 | 0.81 | ALDH1A1 (0.40) | ALDH1A1MTNR1AMTNR1BALDH3A1ALDH1A3 | |
| SCHEMBL3689253 | 0.78 | CYP2A6 (0.57) | ALDH1A1CYP2A6CYP2A13ALDH3A1ALDH1A3 | |
| SCHEMBL6435746 | 0.78 | NOS1 (0.48) | NOS1MTNR1AMTNR1BADORA2AADORA1 | |
| SCHEMBL29740784 | 0.77 | CYP2A6 (0.56) | ALDH1A1CYP2A6CYP2A13UNGMAOA | |
| SCHEMBL1039994 | 0.77 | CYP2A6 (0.56) | ALDH1A1CYP2A6CYP2A13UNGMAOA | |
| SCHEMBL13006268 | 0.77 | OPRK1 (0.46) | ALDH1A1MAOAMAOBMTNR1AMTNR1B | |
| SCHEMBL18002414 | 0.77 | MAOA (0.46) | ALDH1A1CYP2A6MAOAMAOBRAB9A | |
| Hydrochloric Acid SCHEMBL2654822 | 0.76 | UNG (0.45) | ALDH1A1CYP2A6CYP2A13UNGMAOA | |
| SCHEMBL3695443 | 0.75 | ALDH1A1 (0.35) | ALDH1A1CYP2A6CYP2A13ALDH3A1ALDH1A3 |
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 |