Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8746257 | 0.76 | CES1 (0.63) | CES1ALDH1A1HPGDHSD17B10CASP1 | |
| SCHEMBL1266199 | 0.75 | ALDH1A1 (0.61) | CES1ALDH1A1CES2BCHEMCL1 | |
| SCHEMBL29242975 | 0.73 | TNF (0.52) | CES1ALDH1A1MCL1HPGDHSD17B10 | |
| SCHEMBL1569131 | 0.72 | GSTP1 (0.48) | ALDH1A1HPGDHSD17B10CASP1TSHR | |
| SCHEMBL19888 | 0.70 | MEN1 (0.50) | CES1ALDH1A1CES2BCHECASP1 | |
| SCHEMBL29354014 | 0.69 | ALDH1A1 (0.50) | CES1ALDH1A1HPGDHSD17B10CASP1 | |
| SCHEMBL2871930 | 0.69 | ALDH1A1 (0.50) | CES1ALDH1A1HPGDHSD17B10CASP1 | |
| SCHEMBL537003 | 0.68 | ALDH1A1 (0.44) | CES1ALDH1A1MCL1HPGDHSD17B10 | |
| SCHEMBL21331963 | 0.68 | TYMS (0.60) | CES1ALDH1A1CES2BCHEMCL1 | |
| SCHEMBL27675918 | 0.68 | TNF (0.47) | CES1ALDH1A1HPGDHSD17B10CASP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0705250-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-04-10 | — | — | EP | disclosed |