Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.51 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5123238 | 0.96 | CLK4 (0.54) | ALDH1A1NPC1HPGDPOLBSMN1; SMN2 | |
| SCHEMBL7172515 | 0.91 | ALDH1A1 (0.52) | ALDH1A1NPC1HPGDPOLBSMN1; SMN2 | |
| SCHEMBL7170341 | 0.91 | ALDH1A1 (0.48) | ALDH1A1NPC1HPGDPOLBSMN1; SMN2 | |
| SCHEMBL7171714 | 0.89 | POLB (0.54) | ALDH1A1NPC1HPGDPOLBSMN1; SMN2 | |
| SCHEMBL5126022 | 0.89 | CLK4 (0.54) | ALDH1A1NPC1HPGDPOLBSMN1; SMN2 | |
| SCHEMBL5809171 | 0.89 | PRKCI (0.48) | — | |
| SCHEMBL7171668 | 0.88 | MAPT (0.51) | ALDH1A1NPC1HPGDPOLBSMN1; SMN2 | |
| SCHEMBL7172866 | 0.88 | ALDH1A1 (0.52) | ALDH1A1NPC1HPGDPOLBSMN1; SMN2 | |
| SCHEMBL5127640 | 0.87 | PDE5A (0.46) | ALDH1A1NPC1HPGDPOLBSMN1; SMN2 | |
| SCHEMBL7175091 | 0.87 | MAPT (0.58) | ALDH1A1NPC1HPGDPOLBSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0920431-B1 | THIENOPYRIMIDINES | MERCK PATENT GMBH (DE) | 2003-02-26 | — | — | EP | disclosed |