Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | FADS1 | O60427 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 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 | |
|---|---|---|---|---|
| SCHEMBL9327450 | 0.82 | ALDH1A1 (0.44) | ALDH1A1KEAP1HDAC1GAAHTT | |
| SCHEMBL28967099 | 0.81 | ALDH1A1 (0.54) | ALDH1A1KEAP1HDAC1GRM5GAA | |
| SCHEMBL22134762 | 0.77 | ALDH1A1 (0.50) | ALDH1A1KEAP1HDAC1GRM5GAA | |
| SCHEMBL30262619 | 0.77 | ALDH1A1 (0.50) | ALDH1A1KEAP1GAAHTT | |
| SCHEMBL30182222 | 0.77 | ALDH1A1 (0.50) | ALDH1A1KEAP1HDAC1GRM5GAA | |
| SCHEMBL168901 | 0.77 | ALDH1A1 (0.50) | ALDH1A1KEAP1GAAHTT | |
| SCHEMBL7339958 | 0.76 | ALDH1A1 (0.40) | ALDH1A1GFER | |
| SCHEMBL95486 | 0.76 | CES2 (0.43) | ALDH1A1GRM5CA6CA5ACA9 | |
| SCHEMBL8321394 | 0.73 | TDP1 (0.52) | ALDH1A1HTTCA1L3MBTL1 | |
| SCHEMBL3729165 | 0.73 | TRPA1 (0.35) | KEAP1HTTCES2CES1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1494700-A2 | CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS | Cytovia, Inc. (US) | 2005-01-12 | — | — | EP | claimed |
| WO-2004002401-A2 | CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS | CYTOVIA, INC. (US) | 2004-01-08 | — | — | WO | claimed |
| CN-108699241-A | Polyalkyleneimino polymers with polyester groups | 巴斯夫欧洲公司 | 2018-10-23 | — | — | CN | disclosed |
| EP-1494700-A2 | CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS | Cytovia, Inc. (US) | 2005-01-12 | — | — | EP | disclosed |
| WO-2004002401-A2 | CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS | CYTOVIA, INC. (US) | 2004-01-08 | — | — | WO | disclosed |