Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.44 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.44 |
| ▸ | PDE2A | O00408 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3087758 | 0.88 | ASIC3 (0.45) | ASIC3ALDH1A1HPGDMCHR1MAPT | |
| SCHEMBL3088463 | 0.80 | HSP90AA1 (0.53) | ALDH1A1HPGDLMNAHSP90AA1MAPT | |
| SCHEMBL16628707 | 0.80 | TLR8 (0.39) | ASIC3ALDH1A1HPGDLMNAMCHR1 | |
| SCHEMBL3092345 | 0.79 | ALDH1A1 (0.41) | ALDH1A1HPGDLMNAMAPTDHFR | |
| SCHEMBL3087968 | 0.79 | HSP90AA1 (0.47) | ALDH1A1HPGDLMNAHSP90AA1MAPT | |
| SCHEMBL13144829 | 0.79 | ALDH1A1 (0.41) | ALDH1A1HPGDLMNAHSP90AA1DHFR | |
| SCHEMBL3088521 | 0.79 | HSP90AB1 (0.45) | ALDH1A1HPGDLMNAMAPTKDM4E | |
| SCHEMBL3087756 | 0.79 | HPGD (0.43) | ALDH1A1HPGDLMNADHFRKDM4E | |
| SCHEMBL3099210 | 0.79 | ADORA3 (0.54) | ALDH1A1HPGDLMNAHSP90AA1MAPT | |
| SCHEMBL3085150 | 0.78 | HSP90AA1 (0.61) | ALDH1A1HPGDLMNAHSP90AA1HSP90AB1 |
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-2164833-B1 | Quinazolinamide derivatives useful for the treatment of tumour diseases | MERCK PATENT GMBH (DE) | 2015-04-15 | — | — | EP | claimed |
| EP-2164833-B1 | Quinazolinamide derivatives useful for the treatment of tumour diseases | MERCK PATENT GMBH (DE) | 2015-04-15 | — | — | EP | disclosed |