Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 11/20 | 0.71 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.71 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL1768011 | 0.99 | HSP90AA1 (0.70) | HSP90AA1HSP90AB1EGLN1NAMPTKCNH2 | |
| SCHEMBL1768048 | 0.96 | HSP90AA1 (0.69) | HSP90AA1HSP90AB1EGLN1NAMPTKCNH2 | |
| Bicarbonate SCHEMBL1767911 | 0.95 | HSP90AA1 (0.67) | HSP90AA1HSP90AB1EGLN1NAMPTKCNH2 | |
| Bicarbonate SCHEMBL1767988 | 0.95 | HSP90AA1 (0.67) | HSP90AA1HSP90AB1EGLN1NAMPTKCNH2 | |
| Formic Acid SCHEMBL27886076 | 0.92 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1EGLN1NAMPTKCNH2 | |
| SCHEMBL12273251 | 0.85 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1EGLN1LMNAMAPT | |
| Ethoxycarbonyl Group SCHEMBL28797508 | 0.85 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1EGLN1NAMPT | |
| SCHEMBL16628709 | 0.84 | HSP90AA1 (0.80) | HSP90AA1HSP90AB1LMNAMAPTALDH1A1 | |
| SCHEMBL16628686 | 0.83 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1SMN1; SMN2HPGD | |
| SCHEMBL16628804 | 0.82 | HSP90AA1 (0.76) | HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2HPGD |
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-2504314-A1 | QUINAZOLINE DERIVATIVES | Merck Patent GmbH (DE) | 2012-10-03 | — | — | EP | disclosed |
| WO-2011060873-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-05-26 | — | — | WO | disclosed |