Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PKLR | P30613 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PDE1A | P54750 | 1/20 | 0.37 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.37 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL4767904 | 0.91 | MAPT (0.44) | ALDH1A1L3MBTL1HPGDTSHRMAPK1 | |
| SCHEMBL4764053 | 0.90 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1LMNATSHRNPC1 | |
| SCHEMBL4769545 | 0.87 | NPC1 (0.39) | ALDH1A1L3MBTL1LMNANPC1PKM | |
| SCHEMBL4765667 | 0.84 | ADORA2A (0.40) | ALDH1A1L3MBTL1PKMPKLRMAPK1 | |
| SCHEMBL4763491 | 0.83 | ADORA2B (0.42) | ALDH1A1L3MBTL1LMNANPC1PKM | |
| SCHEMBL4763488 | 0.83 | ADORA2B (0.42) | ALDH1A1L3MBTL1LMNANPC1PKM | |
| SCHEMBL4762383 | 0.82 | MAPT (0.42) | ALDH1A1L3MBTL1PKMMAPK1MAPT | |
| SCHEMBL4762591 | 0.82 | MAPT (0.37) | ALDH1A1L3MBTL1LMNAPKMPKLR | |
| SCHEMBL4763889 | 0.82 | ADORA2B (0.46) | ALDH1A1L3MBTL1LMNAPKMMAPT | |
| SCHEMBL4769328 | 0.82 | ADORA2B (0.49) | ALDH1A1L3MBTL1PKMMAPTPOLB |
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-1678181-B1 | A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS INC (US) | 2008-12-31 | — | — | EP | disclosed |