Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL11214714 | 0.84 | ALOX5 (0.46) | CES2CES1KEAP1ALOX5DAO | |
| SCHEMBL11214693 | 0.76 | ALOX5 (0.42) | CES2CES1KEAP1ALOX5DAO | |
| SCHEMBL28150981 | 0.73 | ALOX5 (0.39) | CES2CES1KEAP1ALOX5SLC1A3 | |
| SCHEMBL9530923 | 0.73 | GLS (0.46) | CES2CES1HCAR2ALDH1A1LMNA | |
| SCHEMBL11077401 | 0.72 | CES2 (0.63) | CES2CES1KEAP1ALOX5DAO | |
| SCHEMBL11521368 | 0.71 | ALOX5 (0.38) | CES2CES1ALOX5DAOSLC1A3 | |
| SCHEMBL8505076 | 0.71 | ALOX5 (0.51) | CES2CES1KEAP1ALOX5DAO | |
| SCHEMBL10349140 | 0.71 | ALOX5 (0.47) | CES2CES1KEAP1ALOX5DAO | |
| SCHEMBL11309726 | 0.70 | CES2 (0.36) | CES2CES1KEAP1ALOX5ATM | |
| SCHEMBL4211394 | 0.69 | CES2 (0.46) | CES2CES1KEAP1ALOX5DAO |
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 |