Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28091089 | 0.79 | KDM4E (0.42) | KDM4EALDH1A1TSHRTDP1TP53 | |
| SCHEMBL27821313 | 0.78 | CYP1A1 (0.36) | KDM4EALDH1A1TSHRTDP1TP53 | |
| SCHEMBL6589859 | 0.77 | KDM4E (0.41) | KDM4EALDH1A1TSHRTDP1TP53 | |
| SCHEMBL1312149 | 0.76 | RAPGEF4 (0.35) | KDM4EALDH1A1TDP1MAPTLMNA | |
| SCHEMBL139002 | 0.74 | ALDH1A1 (0.65) | KDM4EALDH1A1TSHRTDP1TP53 | |
| SCHEMBL30578152 | 0.72 | ALDH1A1 (0.61) | KDM4EALDH1A1TSHRTDP1TP53 | |
| Bromide SCHEMBL29858695 | 0.72 | ALDH1A1 (0.61) | KDM4EALDH1A1TSHRTDP1TP53 | |
| SCHEMBL28908462 | 0.72 | ALDH1A1 (0.61) | KDM4EALDH1A1TSHRTDP1TP53 | |
| Hydrochloric Acid SCHEMBL5621296 | 0.72 | ALDH1A1 (0.61) | KDM4EALDH1A1TSHRTDP1TP53 | |
| Methane SCHEMBL2038793 | 0.72 | ALDH1A1 (0.61) | KDM4EALDH1A1TSHRTDP1TP53 |
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-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 |