Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 8/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12273050 | 0.88 | HSP90AA1 (0.52) | HSP90AA1ALDH1A1HPGDLMNADHFR | |
| SCHEMBL1767993 | 0.87 | HSP90AA1 (0.44) | HSP90AA1ALDH1A1HSP90AB1SCN10A | |
| SCHEMBL1767930 | 0.86 | HSP90AA1 (0.44) | HSP90AA1DHFRHSP90AB1SCN10A | |
| SCHEMBL12273754 | 0.83 | HSP90AA1 (0.49) | HSP90AA1ALDH1A1DHFRSLC6A4 | |
| SCHEMBL12273492 | 0.83 | HSP90AA1 (0.67) | HSP90AA1ALDH1A1HPGDLMNADHFR | |
| SCHEMBL1768050 | 0.82 | HSP90AA1 (0.45) | HSP90AA1ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL3088463 | 0.78 | HSP90AA1 (0.53) | HSP90AA1ALDH1A1HPGDLMNADHFR | |
| SCHEMBL3087968 | 0.77 | HSP90AA1 (0.47) | HSP90AA1ALDH1A1HPGDLMNADHFR | |
| SCHEMBL3088521 | 0.77 | HSP90AB1 (0.45) | ALDH1A1HPGDLMNAHSP90AB1SMN1; SMN2 | |
| SCHEMBL3092345 | 0.77 | ALDH1A1 (0.41) | ALDH1A1HPGDLMNADHFRMEN1 |
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 |