Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.57 |
| ▸ | CNR2 | P34972 | 6/20 | 0.52 |
| ▸ | CNR1 | P21554 | 5/20 | 0.52 |
| ▸ | PGR | P06401 | 3/20 | 0.52 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.52 |
| ▸ | PTGES | O14684 | 3/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.48 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL6864499 | 0.85 | NR3C1 (0.57) | ALDH1A1LMNANPSR1NR3C1CNR2 | |
| SCHEMBL6864234 | 0.85 | NR3C1 (0.50) | ALDH1A1LMNANPSR1NR3C1CNR2 | |
| SCHEMBL8166640 | 0.79 | ALDH1A1 (0.53) | ALDH1A1LMNANPSR1NR3C1CNR2 | |
| SCHEMBL8168003 | 0.78 | ALDH1A1 (0.45) | ALDH1A1LMNANPSR1NR3C1CNR2 | |
| SCHEMBL6857683 | 0.77 | CASR (0.60) | ALDH1A1LMNANPSR1 | |
| SCHEMBL6857684 | 0.77 | CASR (0.60) | ALDH1A1LMNANPSR1 | |
| SCHEMBL8171446 | 0.77 | ALDH1A1 (0.44) | ALDH1A1LMNANPSR1NR3C1CNR2 | |
| SCHEMBL8169408 | 0.77 | KEAP1 (0.45) | ALDH1A1LMNANPSR1NR3C1CNR2 | |
| SCHEMBL6858004 | 0.77 | CASR (0.47) | ALDH1A1LMNANPSR1NR3C1 | |
| SCHEMBL8167817 | 0.77 | ALDH1A1 (0.44) | ALDH1A1LMNANPSR1NR3C1CNR2 |
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-B1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2004-06-16 | — | — | EP | disclosed |
| US-6294531-B1 | AMINOALKANOLS AS BLOOD COAGULANTS | SMITHKLINE BEECHAM CORPORATION | 2001-09-25 | — | — | US | disclosed |
| 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 |