Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | CASP1 | P29466 | 1/20 | 0.54 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.54 |
| ▸ | CASP7 | P55210 | 1/20 | 0.54 |
| ▸ | HBB | P68871 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | DPP4 | P27487 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13923358 | 0.98 | ALDH1A1 (0.56) | ALDH1A1HSD17B10SMN1; SMN2TSHRALOX15 | |
| SCHEMBL13923347 | 0.95 | ALDH1A1 (0.58) | ALDH1A1HSD17B10SMN1; SMN2TSHRALOX15 | |
| SCHEMBL3891794 | 0.93 | ALDH1A1 (0.56) | ALDH1A1HSD17B10SMN1; SMN2TSHRALOX15 | |
| SCHEMBL13923393 | 0.93 | ALDH1A1 (0.54) | ALDH1A1HSD17B10SMN1; SMN2TSHRALOX15 | |
| SCHEMBL3897809 | 0.93 | ALDH1A1 (0.58) | ALDH1A1HSD17B10SMN1; SMN2TSHRALOX15 | |
| SCHEMBL13923427 | 0.93 | ALDH1A1 (0.60) | ALDH1A1HSD17B10SMN1; SMN2TSHRALOX15 | |
| SCHEMBL13923380 | 0.92 | ALDH1A1 (0.55) | ALDH1A1HSD17B10SMN1; SMN2TSHRALOX15 | |
| SCHEMBL13923375 | 0.91 | ALDH1A1 (0.57) | ALDH1A1HSD17B10SMN1; SMN2TSHRALOX15 | |
| SCHEMBL13923396 | 0.91 | ALDH1A1 (0.61) | ALDH1A1HSD17B10SMN1; SMN2TSHRALOX15 | |
| SCHEMBL13923356 | 0.91 | ALDH1A1 (0.57) | ALDH1A1HSD17B10SMN1; SMN2TSHRALOX15 |
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-7495004-B2 | Purine derivatives as liver X receptor agonists | GLAXO GROUP LIMITED (GB) | 2009-02-24 | — | — | US | disclosed |
| US-7495004-B2 | Purine derivatives as liver X receptor agonists | GLAXO GROUP LIMITED (GB) | 2009-02-24 | — | — | US | disclosed |