Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.51 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TACR1 | P25103 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CD38 | P28907 | 1/20 | 0.42 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | FABP3 | P05413 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 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 | |
|---|---|---|---|---|
| SCHEMBL1125943 | 0.88 | GAA (0.64) | ESR1NR1H2NR1H3GAAMAPT | |
| SCHEMBL3855505 | 0.82 | NR1H2 (0.48) | ESR1NR1H2NR1H3GAAALDH1A1 | |
| SCHEMBL2821537 | 0.81 | GAA (0.45) | ESR1NR1H2NR1H3GAAMAPT | |
| SCHEMBL4307232 | 0.76 | NR1H2 (0.43) | NR1H2NR1H3GAAMAPTNPSR1 | |
| SCHEMBL4012785 | 0.75 | NR1H2 (0.42) | ESR1NR1H2NR1H3CYP3A4CD38 | |
| SCHEMBL11045513 | 0.75 | ALDH1A1 (0.45) | ESR1NR1H2NR1H3ALDH1A1L3MBTL1 | |
| SCHEMBL1127007 | 0.75 | NR1H2 (0.60) | ESR1NR1H2NR1H3GAAMAPT | |
| SCHEMBL2821849 | 0.74 | GAA (0.46) | ESR1NR1H2NR1H3GAAMAPT | |
| SCHEMBL4011398 | 0.74 | NR1H2 (0.49) | ESR1NR1H2NR1H3 | |
| Hydrochloric Acid SCHEMBL11617104 | 0.74 | ALDH1A1 (0.44) | ESR1NR1H2NR1H3ALDH1A1L3MBTL1 |
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-1692111-A2 | QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE | Wyeth, A Corporation of the State of Delaware (US) | 2006-08-23 | — | — | EP | disclosed |
| WO-2005058834-A2 | QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE | WYETH (US) | 2005-06-30 | — | — | WO | disclosed |