Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | GLS | O94925 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11214711 | 0.84 | CES2 (0.43) | ALOX5CES2CES1KEAP1SLC1A3 | |
| SCHEMBL11214695 | 0.77 | ALOX5 (0.49) | ALOX5CES2CES1KEAP1POLB | |
| SCHEMBL9530930 | 0.74 | GLS (0.48) | ALOX5GLSCYP2C19ALDH1A1PKM | |
| SCHEMBL8586433 | 0.73 | ALOX5 (0.39) | ALOX5CES2CES1KEAP1POLB | |
| SCHEMBL5027606 | 0.73 | ALOX5 (0.51) | ALOX5CES2CES1KEAP1SLC1A3 | |
| SCHEMBL13163250 | 0.73 | ALOX5 (0.51) | ALOX5CES2CES1KEAP1SLC1A3 | |
| SCHEMBL7955355 | 0.73 | CES2 (0.61) | ALOX5CES2CES1KEAP1POLB | |
| SCHEMBL11521371 | 0.72 | ALOX5 (0.44) | ALOX5CES2CES1SLC1A3SLC1A2 | |
| SCHEMBL8853390 | 0.72 | ALOX5 (0.50) | ALOX5CES2CES1KEAP1POLB | |
| SCHEMBL602500 | 0.72 | ALOX5 (0.50) | ALOX5CES2CES1KEAP1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-4329454-A | Cephalosporin compounds | ELI LILLY AND COMPANY (US) | 1982-05-11 | — | — | US | disclosed |
| US-4144391-A | REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE | ELI LILLY AND COMPANY (US) | 1979-03-13 | — | — | US | disclosed |