Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 4/20 | 0.46 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ATP4A | P20648 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ATP4B | P51164 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3521025 | 0.85 | MAOB (0.49) | GRM2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4150847 | 0.75 | CASR (0.52) | BRD4GRM2MEN1CYP1A2CYP3A4 | |
| SCHEMBL11628099 | 0.75 | PDE5A (0.46) | BRD4XDH | |
| SCHEMBL4142412 | 0.74 | ALDH1A1 (0.48) | BRD4MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8874712 | 0.73 | SGMS2 (0.52) | BRD4MAPK1PTGER1MAOB | |
| SCHEMBL4477507 | 0.73 | MAOB (0.49) | GRM2MEN1CYP2D6CYP2C9KMT2A | |
| SCHEMBL3079041 | 0.70 | MAOB (0.46) | BRD4PTGER1MAOB | |
| SCHEMBL4143109 | 0.70 | CASR (0.54) | BRD4MEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL448079 | 0.70 | MAOB (0.57) | MAPK1XDHMAOB | |
| SCHEMBL6555871 | 0.69 | GRM5 (0.47) | MAPK1XDHMAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1951244-A2 | CALCILYTIC COMPOUNDS | SmithKline Beecham Corporation (US) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007062370-A2 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-31 | — | — | WO | disclosed |