Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 8/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6861996 | 1.00 | CASR (0.44) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL6858010 | 0.90 | CASR (0.47) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL6858004 | 0.90 | CASR (0.47) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL6861964 | 0.88 | CASR (0.46) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL6861971 | 0.88 | CASR (0.46) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL6863019 | 0.86 | CASR (0.62) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL6857683 | 0.86 | CASR (0.60) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL6863014 | 0.86 | CASR (0.62) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL6857684 | 0.86 | CASR (0.60) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL8167817 | 0.82 | ALDH1A1 (0.44) | ALDH1A1KEAP1NFE2L2LMNANR3C1 |
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 5 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 | claimed |
| US-6294531-B1 | AMINOALKANOLS AS BLOOD COAGULANTS | SMITHKLINE BEECHAM CORPORATION | 2001-09-25 | — | — | US | claimed |
| CN-1259120-A | Calcilytic compounds | SMITHKLINE BEECHAM CORP (US) | 2000-07-05 | — | — | CN | claimed |
| 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 |