Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 4/20 | 0.48 |
| ▸ | BRAF | P15056 | 3/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.41 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 3/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1806649 | 0.80 | BRAF (0.59) | TNNI3KBRAFHRH3EGFR | |
| SCHEMBL1804094 | 0.79 | BRAF (0.60) | TNNI3KBRAFHRH3EGFR | |
| SCHEMBL1805553 | 0.78 | BRAF (0.59) | TNNI3KBRAFHRH3NPC1EGFR | |
| SCHEMBL1809417 | 0.77 | BRAF (0.60) | TNNI3KBRAFMEN1KMT2APOLB | |
| SCHEMBL1806890 | 0.77 | BRAF (0.59) | TNNI3KBRAFEGFRABCG2KDR | |
| Trifluoroacetic Acid SCHEMBL1804179 | 0.76 | TNNI3K (0.83) | TNNI3KBRAF | |
| SCHEMBL1806419 | 0.74 | BRAF (0.64) | TNNI3KBRAFHRH3EGFRCA2 | |
| SCHEMBL1804184 | 0.70 | TNNI3K (0.63) | TNNI3KBRAF | |
| Hydrochloric Acid SCHEMBL1804731 | 0.69 | BRAF (0.67) | TNNI3KBRAFHRH3EGFRCA2 | |
| SCHEMBL2229060 | 0.69 | SLC6A4 (0.46) | TNNI3KNPC1EGFR |
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-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 |