Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | ALPI | P09923 | 1/20 | 0.35 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8009552 | 0.80 | TSHR (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL8009555 | 0.80 | TSHR (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL3937846 | 0.79 | MAOB (0.52) | ALDH1A1TSHRTRPA1 | |
| SCHEMBL9327534 | 0.79 | MAOB (0.52) | ALDH1A1TSHRTRPA1 | |
| SCHEMBL9327526 | 0.79 | MAOB (0.52) | ALDH1A1TSHRTRPA1 | |
| SCHEMBL9588484 | 0.75 | GPR52 (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL9588478 | 0.75 | GPR52 (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL9588485 | 0.75 | GPR52 (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL1024496 | 0.72 | — | — | |
| SCHEMBL5495225 | 0.71 | CYP3A4 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013173441-A2 | ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2013-11-21 | — | — | WO | disclosed |
| EP-2566327-A1 | INDOLES | GlaxoSmithKline LLC (US) | 2013-03-13 | — | — | EP | disclosed |
| EP-2566328-A1 | INDAZOLES | GlaxoSmithKline LLC (US) | 2013-03-13 | — | — | EP | disclosed |
| WO-2011140325-A1 | INDAZOLES | GLAXOSMITHKLINE LLC (US) | 2011-11-10 | — | — | WO | disclosed |
| WO-2011140324-A1 | INDOLES | GLAXOSMITHKLINE LLC (US) | 2011-11-10 | — | — | WO | disclosed |