Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 9/20 | 0.55 |
| ▸ | BRAF | P15056 | 8/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1808559 | 0.94 | TNNI3K (0.62) | TNNI3KBRAFLMNASRCUSP2 | |
| Hydrochloric Acid SCHEMBL1804254 | 0.93 | TNNI3K (0.61) | TNNI3KBRAFLMNASRCUSP2 | |
| SCHEMBL1807965 | 0.91 | TNNI3K (0.46) | TNNI3KBRAFLMNASRCUSP2 | |
| SCHEMBL1809500 | 0.85 | BRAF (0.53) | TNNI3KBRAFLMNASRCUSP2 | |
| SCHEMBL1807652 | 0.84 | TNNI3K (0.52) | TNNI3KBRAFLMNASRCUSP2 | |
| SCHEMBL1805724 | 0.84 | BRAF (0.63) | TNNI3KBRAFLMNACA2MAPK1 | |
| SCHEMBL1807903 | 0.84 | BRAF (0.63) | TNNI3KBRAFLMNACA2MAPK1 | |
| SCHEMBL1806484 | 0.84 | TNNI3K (0.58) | TNNI3KBRAFCA2MAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1804960 | 0.81 | BRAF (0.49) | TNNI3KBRAFLMNASRCUSP2 | |
| SCHEMBL1806158 | 0.81 | BRAF (0.61) | TNNI3KBRAFLMNACA2MAPK1 |
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 |