Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.44 |
| ▸ | CES2 | O00748 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | PAM | P19021 | 2/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.34 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.34 |
| ▸ | TLR2 | O60603 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6649226 | 0.93 | KMT2A (0.48) | CES1CES2ALDH1A1MAPTKMT2A | |
| SCHEMBL6648488 | 0.86 | ALDH1A1 (0.40) | CES1CES2ALDH1A1TSHRTDP1 | |
| SCHEMBL6650305 | 0.83 | CES1 (0.41) | CES1CES2ALDH1A1TP53MAPT | |
| SCHEMBL6652388 | 0.83 | MAPT (0.42) | CES1CES2ALDH1A1TP53MAPT | |
| SCHEMBL5431872 | 0.77 | TDP1 (0.32) | TDP1 | |
| SCHEMBL6648355 | 0.77 | KMT2A (0.45) | CES1CES2ALDH1A1MAPTKMT2A | |
| SCHEMBL297827 | 0.76 | — | — | |
| SCHEMBL11503331 | 0.76 | — | — | |
| SCHEMBL9312673 | 0.75 | TDP1 (0.47) | ALDH1A1TDP1 | |
| SCHEMBL106334 | 0.74 | CES1 (0.65) | CES1CES2ALDH1A1TP53MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6534665-B1 | Used for polymerization and copolymerization of olefins | REPSOL QUIMICA S.A. (ES) | 2003-03-18 | — | — | US | claimed |
| EP-1095944-B1 | Single-carbon bridged bis cyclopentadienyl compounds and metallocene complexes thereof | REPSOL QUIMICA SA (ES) | 2004-03-17 | — | — | EP | disclosed |
| US-6534665-B1 | Used for polymerization and copolymerization of olefins | REPSOL QUIMICA S.A. (ES) | 2003-03-18 | — | — | US | disclosed |
| EP-1095944-A1 | Single-carbon bridged bis cyclopentadienyl compounds and metallocene complexes thereof | REPSOL QUIMICA S.A. (ES) | 2001-05-02 | — | — | EP | disclosed |