Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14401971 | 0.87 | ADAM17 (0.45) | ALOX5ADAM17CES2CES1KEAP1 | |
| SCHEMBL14469909 | 0.87 | ADAM17 (0.45) | ALOX5ADAM17CES2CES1KEAP1 | |
| SCHEMBL4446997 | 0.81 | ALOX5 (0.44) | ALOX5CES2CES1KEAP1NPSR1 | |
| SCHEMBL11534783 | 0.81 | ALOX5 (0.44) | ALOX5CES2CES1KEAP1NPSR1 | |
| Hydrochloric Acid SCHEMBL6379454 | 0.79 | ALOX5 (0.42) | ALOX5CES2CES1KEAP1NPSR1 | |
| SCHEMBL3224065 | 0.77 | CTSK (0.43) | ALOX5ADAM17CCR2KDM4EMAPT | |
| SCHEMBL13688900 | 0.76 | ALOX5 (0.50) | ALOX5ADAM17CES2CES1KEAP1 | |
| SCHEMBL14451014 | 0.76 | ALOX5 (0.50) | ALOX5ADAM17CES2CES1KEAP1 | |
| Hydrochloric Acid SCHEMBL3209787 | 0.75 | ALOX5 (0.49) | ALOX5ADAM17CES2CES1KEAP1 | |
| Hydrochloric Acid SCHEMBL3209783 | 0.75 | ALOX5 (0.49) | ALOX5ADAM17CES2CES1KEAP1 |
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-1385870-B1 | PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS | SCHERING CORP (US) | 2010-03-17 | — | — | EP | disclosed |