Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | PGR | P06401 | 2/20 | 0.56 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.53 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.53 |
| ▸ | AR | P10275 | 1/20 | 0.53 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | PLA2G7 | Q13093 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13065706 | 0.83 | SLC22A12 (0.43) | ALDH1A1PGRNR3C1NR3C2AR | |
| SCHEMBL6857824 | 0.80 | PLA2G7 (0.60) | ALDH1A1SLC22A12PLA2G7LMNAHTT | |
| SCHEMBL14561810 | 0.80 | BACE1 (0.54) | ALDH1A1KDM4ELMNAHTTSMN1; SMN2 | |
| SCHEMBL12017964 | 0.80 | SMN1; SMN2 (0.67) | ALDH1A1LMNAHTTSMN1; SMN2KDM1A | |
| SCHEMBL1627994 | 0.79 | SLC22A12 (0.49) | ALDH1A1PGRNR3C1NR3C2AR | |
| SCHEMBL16088704 | 0.78 | ALDH1A1 (0.76) | ALDH1A1KDM4EHTTSMN1; SMN2MEN1 | |
| SCHEMBL2129695 | 0.78 | GRM4 (0.45) | ALDH1A1PGRNR3C1NR3C2AR | |
| SCHEMBL6857747 | 0.78 | PGR (0.52) | ALDH1A1PGRNR3C1NR3C2AR | |
| SCHEMBL2678340 | 0.78 | SLC22A12 (0.62) | PGRNR3C1NR3C2ARSLC22A12 | |
| SCHEMBL6153033 | 0.77 | SLC6A4 (0.66) | PGRPLA2G7 |
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 |