Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11214695 | 0.84 | ALOX5 (0.49) | ALOX5HSD17B2CES2CES1KEAP1 | |
| SCHEMBL14033294 | 0.81 | ALOX5 (0.45) | ALOX5HSD17B2CES2CES1KEAP1 | |
| SCHEMBL27678827 | 0.80 | ALOX5 (0.47) | ALOX5HSD17B2CES2CES1KEAP1 | |
| SCHEMBL11613689 | 0.78 | ALDH1A1 (0.39) | ALOX5HSD17B2CES2CES1KEAP1 | |
| SCHEMBL11214711 | 0.76 | CES2 (0.43) | ALOX5CES2CES1KEAP1ALDH1A1 | |
| SCHEMBL10780279 | 0.76 | HSD17B2 (0.41) | ALOX5HSD17B2CES2CES1KEAP1 | |
| SCHEMBL28459357 | 0.76 | ALOX5 (0.44) | ALOX5HSD17B2CES2CES1KEAP1 | |
| SCHEMBL6970391 | 0.75 | HSD17B2 (0.45) | ALOX5HSD17B2CES2CES1KEAP1 | |
| SCHEMBL5742124 | 0.75 | HSD17B2 (0.40) | ALOX5HSD17B2CES2CES1KEAP1 | |
| SCHEMBL6708032 | 0.74 | ALDH1A1 (0.66) | ALDH1A1CYP3A4MAPTKDM4ERAB9A |
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 |