Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8093583 | 1.00 | ALDH1A1 (0.55) | ALDH1A1KEAP1NFE2L2HCAR2GAA | |
| SCHEMBL560843 | 0.89 | — | — | |
| SCHEMBL12573995 | 0.89 | — | — | |
| SCHEMBL560844 | 0.89 | — | — | |
| SCHEMBL14964 | 0.74 | — | — | |
| SCHEMBL5145577 | 0.74 | — | — | |
| SCHEMBL16346697 | 0.73 | ALDH1A1 (0.69) | ALDH1A1TSHRTP53LMNA | |
| Acetic Acid Methyl Ester SCHEMBL28247087 | 0.73 | ALDH1A1 (0.69) | ALDH1A1KEAP1NFE2L2HCAR2GAA | |
| SCHEMBL22071135 | 0.72 | — | — | |
| Hydrogen Peroxide SCHEMBL4373439 | 0.71 | — | — |
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-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |