Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.37 |
| ▸ | CHKA | P35790 | 1/20 | 0.36 |
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 | 0.95 | ALDH1A1 (0.50) | ALDH1A1HTR1AHTR7CYP1A2CYP3A4 | |
| SCHEMBL3689290 | 0.79 | ALDH1A1 (0.55) | ALDH1A1TSHRMAPK1 | |
| SCHEMBL3690147 | 0.76 | HDAC3 (0.42) | PIM1PIM2 | |
| SCHEMBL3695359 | 0.75 | ALDH1A1 (0.53) | ALDH1A1LMNAALDH1A3CHKATRIM24 | |
| SCHEMBL3685950 | 0.74 | NPC1 (0.48) | ALDH1A1CYP1A2CYP3A4LMNAMEN1 | |
| SCHEMBL22579253 | 0.72 | ALDH1A1 (0.65) | ALDH1A1KMT2AALDH1A3CHKATRIM24 | |
| SCHEMBL7995290 | 0.72 | ALDH1A1 (0.86) | ALDH1A1LMNAKMT2ACHKATRIM24 | |
| SCHEMBL3687417 | 0.70 | HDAC3 (0.45) | HTR1AHTR7 | |
| SCHEMBL3688350 | 0.70 | ALDH1A1 (0.52) | ALDH1A1HTR1AHTR7CYP1A2CYP3A4 | |
| SCHEMBL1444185 | 0.69 | ALDH1A1 (0.64) | ALDH1A1HTR1AHTR7MAPK1 |
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-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 |