Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28224204 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP2C9KDM4EMEN1LMNA | |
| SCHEMBL15093846 | 0.79 | AR (0.48) | ARALDH1A1HTTKDM4EDAO | |
| SCHEMBL5776720 | 0.79 | AR (0.48) | ARALDH1A1HTTKDM4EDAO | |
| SCHEMBL28815309 | 0.77 | KMT2A (0.36) | HPGDALDH1A1CYP2C9HTTDAO | |
| SCHEMBL27629487 | 0.76 | PARP1 (0.43) | PARP1ARHPGDALDH1A1CYP2C9 | |
| SCHEMBL15565201 | 0.74 | LTB4R (0.49) | PARP1ARHPGDALDH1A1CYP2C9 | |
| SCHEMBL4442119 | 0.74 | PARP1 (0.42) | PARP1ARHPGDALDH1A1CYP2C9 | |
| SCHEMBL22547317 | 0.74 | PARP1 (0.42) | PARP1ARHPGDALDH1A1CYP2C9 | |
| SCHEMBL7458172 | 0.74 | PARP1 (0.45) | PARP1ARHPGDALDH1A1CYP2C9 | |
| SCHEMBL578238 | 0.74 | LIPE (0.41) | PARP1ARHPGDALDH1A1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1678181-A2 | A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005042534-A2 | A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2005-05-12 | — | — | WO | disclosed |