Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6653432 | 0.86 | CES1 (0.44) | ALDH1A1CES2CES1TSHRTDP1 | |
| SCHEMBL6649226 | 0.84 | KMT2A (0.48) | ALDH1A1CES2CES1TSHRTDP1 | |
| SCHEMBL6650393 | 0.81 | ALDH1A1 (0.37) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL6651917 | 0.81 | ALDH1A1 (0.37) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL5431872 | 0.81 | TDP1 (0.32) | TDP1 | |
| SCHEMBL9312673 | 0.79 | TDP1 (0.47) | ALDH1A1FFAR3TDP1 | |
| SCHEMBL6653186 | 0.78 | MAPT (0.38) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL4864911 | 0.78 | ALDH1A1 (0.34) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL5047501 | 0.74 | — | — | |
| SCHEMBL11764890 | 0.72 | — | — |
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 |