Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | MPI | P34949 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 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 | |
|---|---|---|---|---|
| SCHEMBL9861327 | 0.67 | CES2 (0.32) | CES2ALDH1A1MAPTPKMHPGD | |
| SCHEMBL9861297 | 0.64 | POLB (0.50) | CES2ALDH1A1MAPTPKMHPGD | |
| SCHEMBL9861513 | 0.58 | KDM4E (0.31) | MAPTPOLB | |
| SCHEMBL27562272 | 0.57 | ALDH1A1 (0.33) | CES2ALDH1A1MAPTPKMHPGD | |
| SCHEMBL7213737 | 0.57 | POLB (0.55) | CES2ALDH1A1MAPTPKMHPGD | |
| SCHEMBL396841 | 0.57 | ATM (1.00) | CES2ALDH1A1MAPTPKMHPGD | |
| SCHEMBL22080994 | 0.55 | ALDH1A1 (0.57) | CES2ALDH1A1MAPTPKMHPGD | |
| SCHEMBL22080461 | 0.55 | ALDH1A1 (0.57) | CES2ALDH1A1MAPTPKMHPGD | |
| SCHEMBL27661547 | 0.54 | ALDH1A1 (0.63) | CES2ALDH1A1MAPTPKMHPGD | |
| SCHEMBL14642602 | 0.54 | ALDH1A1 (0.63) | CES2ALDH1A1MAPTPKMHPGD |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4871877-A | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-10-03 | — | — | US | claimed |
| US-5008425-A | Trifluoromethylation of carbonyl compounds | ETHYL CORPORATION (US) | 1991-04-16 | — | — | US | disclosed |
| EP-0336371-A2 | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-10-11 | — | — | EP | disclosed |
| US-4871877-A | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-10-03 | — | — | US | disclosed |
| US-4845258-A | Production of gem-disubstituted cyclohexadienones | ETHYL CORPORATION (US) | 1989-07-04 | — | — | US | disclosed |
| US-4804774-A | Production of gem-disubstituted cyclohexadienones | ETHYL CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |
| US-4804772-A | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |
| US-4804773-A | Production of gem-disubstituted cyclohexadienones | ETHYL CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |