Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 2/20 | 0.53 |
| ▸ | TNNI3K | Q59H18 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 5/20 | 0.49 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 3/20 | 0.41 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1807652 | 0.92 | TNNI3K (0.52) | BRAFTNNI3KLMNASRCAURKA | |
| SCHEMBL1808559 | 0.91 | TNNI3K (0.62) | BRAFTNNI3KLMNASRCAURKA | |
| SCHEMBL1806719 | 0.90 | BRAF (0.46) | BRAFTNNI3KLMNASRCMAPK1 | |
| Hydrochloric Acid SCHEMBL1804254 | 0.90 | TNNI3K (0.61) | BRAFTNNI3KLMNASRCAURKA | |
| SCHEMBL1804276 | 0.89 | BRAF (0.45) | BRAFTNNI3KLMNASRCMAPK1 | |
| Hydrochloric Acid SCHEMBL1804960 | 0.88 | BRAF (0.49) | BRAFTNNI3KLMNASRCMAPK1 | |
| SCHEMBL1807965 | 0.86 | TNNI3K (0.46) | BRAFTNNI3KLMNASRCAURKA | |
| SCHEMBL1807400 | 0.85 | TNNI3K (0.55) | BRAFTNNI3KLMNASRCAURKA | |
| SCHEMBL1809126 | 0.84 | SRC (0.43) | BRAFTNNI3KLMNASRCEGFR | |
| Trifluoroacetic Acid SCHEMBL1805887 | 0.83 | BRAF (0.46) | BRAFTNNI3KLMNASRCAURKA |
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-2501233-A1 | QUINAZOLINE COMPOUNDS | GlaxoSmithKline LLC (US) | 2012-09-26 | — | — | EP | claimed |
| WO-2011056740-A1 | QUINAZOLINE COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2011-05-12 | — | — | WO | claimed |
| EP-2501233-A1 | QUINAZOLINE COMPOUNDS | GlaxoSmithKline LLC (US) | 2012-09-26 | — | — | EP | disclosed |
| WO-2011056740-A1 | QUINAZOLINE COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2011-05-12 | — | — | WO | disclosed |