Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.34 |
| ▸ | ICMT | O60725 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.31 |
| ▸ | GPR6 | P46095 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3639500 | 0.88 | KCNH2 (0.39) | KCNH2SLC6A4HTR2ACYP3A4CYP2C9 | |
| Bromide SCHEMBL3636700 | 0.86 | KCNH2 (0.39) | KCNH2SLC6A4HTR2ACYP3A4CYP2C9 | |
| SCHEMBL3633549 | 0.81 | AR (0.47) | KCNH2SLC6A4HTR2ACYP3A4CYP2C9 | |
| SCHEMBL3635141 | 0.78 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3022832 | 0.78 | CYP3A4 (0.56) | KCNH2SLC6A4HTR2ACYP3A4CYP2C9 | |
| SCHEMBL3638581 | 0.77 | CYP3A4 (0.50) | KCNH2SLC6A4HTR2ACYP3A4CYP2C9 | |
| SCHEMBL3022319 | 0.77 | CYP3A4 (0.36) | KCNH2SLC6A4HTR2ACYP3A4CYP2C9 | |
| SCHEMBL3034711 | 0.77 | CYP3A4 (0.48) | KCNH2SLC6A4HTR2ACYP3A4CYP2C9 | |
| SCHEMBL3022299 | 0.76 | GRM5 (0.42) | KCNH2HTR2ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3033155 | 0.74 | CYP3A4 (0.39) | KCNH2SLC6A4HTR2ACYP3A4CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8304419-B2 | Chemical compounds | GLAXOSMITHKLINE LLC (US) | 2012-11-06 | — | — | US | disclosed |
| EP-2166856-A1 | CHEMICAL COMPOUNDS | GlaxoSmithKline LLC (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008154271-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-18 | — | — | WO | disclosed |