Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 19/20 | 0.73 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.73 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.73 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.73 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.73 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.66 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.56 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6863624 | 1.00 | CASR (0.73) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL6863826 | 0.99 | CASR (0.72) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL6863834 | 0.99 | CASR (0.72) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL6861982 | 0.88 | CASR (0.68) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL6861992 | 0.88 | CASR (0.68) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL6862981 | 0.87 | CASR (0.67) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL6862969 | 0.87 | CASR (0.67) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL7606558 | 0.84 | CASR (0.84) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL7606564 | 0.84 | CASR (0.84) | CASRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL6864026 | 0.83 | CASR (0.67) | CASRSLC6A2SLC6A4SLC6A3KCNH2 |
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 | claimed |
| US-6294531-B1 | AMINOALKANOLS AS BLOOD COAGULANTS | SMITHKLINE BEECHAM CORPORATION | 2001-09-25 | — | — | US | 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 |