Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 5/20 | 0.40 |
| ▸ | CES2 | O00748 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | GSR | P00390 | 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 | |
|---|---|---|---|---|
| SCHEMBL571674 | 0.84 | TDP1 (0.45) | TDP1L3MBTL1CES1CES2LMNA | |
| SCHEMBL7394160 | 0.74 | CES2 (0.41) | CES1CES2ALDH1A1 | |
| SCHEMBL773469 | 0.74 | CES2 (0.41) | CES1CES2ALDH1A1 | |
| SCHEMBL11149119 | 0.70 | TDP1 (0.46) | TDP1L3MBTL1CES1CES2LMNA | |
| SCHEMBL11859106 | 0.70 | TDP1 (0.53) | TDP1L3MBTL1CES1CES2LMNA | |
| Hydroquinone SCHEMBL28267597 | 0.69 | ESR1 (0.50) | TDP1CES1CES2LMNAALDH1A1 | |
| SCHEMBL10353222 | 0.69 | TDP1 (0.47) | TDP1L3MBTL1CES1CES2LMNA | |
| SCHEMBL396812 | 0.69 | CES1 (0.48) | TDP1L3MBTL1CES1CES2LMNA | |
| SCHEMBL221353 | 0.68 | TDP1 (0.47) | TDP1L3MBTL1CES1CES2LMNA | |
| SCHEMBL221352 | 0.68 | TDP1 (0.47) | TDP1L3MBTL1CES1CES2LMNA |
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 |