Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL96213 | 0.83 | CYP1A2 (0.43) | TSHRALDH1A1NR4A2TDP1CYP1A2 | |
| SCHEMBL164718 | 0.77 | TSHR (0.48) | TSHRALDH1A1NR4A2CYP3A4PIK3CA | |
| SCHEMBL29555850 | 0.77 | TSHR (0.48) | TSHRALDH1A1NR4A2CYP3A4PIK3CA | |
| SCHEMBL910072 | 0.77 | ALDH1A1 (0.41) | TSHRALDH1A1CYP3A4PIK3CATDP1 | |
| SCHEMBL10885088 | 0.74 | CYP3A4 (0.36) | TSHRALDH1A1CYP3A4PIK3CATDP1 | |
| SCHEMBL102469 | 0.74 | CYP1A2 (0.36) | TSHRALDH1A1TDP1CYP1A2CYP2A6 | |
| SCHEMBL20237221 | 0.73 | C1R (0.35) | TSHRALDH1A1TDP1CYP1A2CYP2A6 | |
| SCHEMBL6151711 | 0.73 | CYP3A4 (0.35) | TSHRALDH1A1CYP3A4PIK3CATDP1 | |
| SCHEMBL535572 | 0.73 | TAAR1 (0.41) | ALDH1A1TDP1CYP1A2CYP2A6HPGD | |
| SCHEMBL6149952 | 0.73 | CD44 (0.50) | TSHRALDH1A1CYP3A4PIK3CATDP1 |
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 4 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 |
| 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 |