Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17365662 | 0.93 | CYP1A2 (0.53) | CHRNB2CHRNB4CHRNA3CHRNA4CYP1A2 | |
| SCHEMBL17364403 | 0.87 | CHRNB2 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL14621975 | 0.86 | APP (0.50) | CHRNB2CHRNB4CHRNA3CHRNA4CYP1A2 | |
| SCHEMBL29971364 | 0.82 | CYP1A2 (0.48) | CYP1A2ALDH1A1CYP2C19ALOX15HIF1A | |
| SCHEMBL22242112 | 0.82 | CYP1A2 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA4CYP1A2 | |
| SCHEMBL1099062 | 0.81 | NCF1 (0.49) | CYP1A2ALDH1A1CYP2C19ALOX15HIF1A | |
| SCHEMBL29265646 | 0.81 | CYP1A2 (0.47) | CHRNB2CHRNA4CYP1A2ALDH1A1CYP2C19 | |
| SCHEMBL21894334 | 0.81 | CYP1A2 (0.47) | CYP1A2ALDH1A1CYP2C19ALOX15HIF1A | |
| SCHEMBL1742293 | 0.79 | APP (0.54) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL11001236 | 0.79 | GRM5 (0.48) | CHRNB2CHRNB4CHRNA3CHRNA4CYP1A2 |
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-9221821-B2 | Methods for the synthesis of 1,3-substituted aminouracils and other xanthine-related compounds | Forest Laboratories Holdings, Limited (BM) | 2015-12-29 | — | — | US | disclosed |