Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.43 |
| ▸ | CASR | P41180 | 4/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.41 |
| ▸ | PTGES | O14684 | 5/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8166640 | 0.92 | ALDH1A1 (0.53) | KEAP1NFE2L2ALDH1A1LMNANPSR1 | |
| SCHEMBL7563830 | 0.90 | CASR (0.46) | KEAP1NFE2L2ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL8172490 | 0.90 | CASR (0.46) | KEAP1NFE2L2ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL8168003 | 0.89 | ALDH1A1 (0.45) | KEAP1NFE2L2ALDH1A1LMNANPSR1 | |
| SCHEMBL8171446 | 0.88 | ALDH1A1 (0.44) | KEAP1NFE2L2ALDH1A1LMNANPSR1 | |
| SCHEMBL8167817 | 0.86 | ALDH1A1 (0.44) | KEAP1NFE2L2ALDH1A1LMNANPSR1 | |
| SCHEMBL6863014 | 0.83 | CASR (0.62) | SLC6A2SLC6A4CASRSLC6A3KCNH2 | |
| SCHEMBL6863019 | 0.83 | CASR (0.62) | SLC6A2SLC6A4CASRSLC6A3KCNH2 | |
| SCHEMBL8171450 | 0.81 | SLC6A2 (0.41) | KEAP1NFE2L2ALDH1A1LMNANPSR1 | |
| SCHEMBL7563669 | 0.81 | CASR (0.48) | KEAP1NFE2L2ALDH1A1NPSR1SLC6A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0973730-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-01-26 | — | — | EP | claimed |
| WO-1998045255-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-10-15 | — | — | WO | claimed |
| EP-0973730-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998045255-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-10-15 | — | — | WO | disclosed |