Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | BCL2 | P10415 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9861413 | 0.81 | BCL2 (0.46) | BCL2BCL2L1 | |
| SCHEMBL9861455 | 0.80 | KDM4E (0.44) | BACE1MEN1KMT2AKDM4ELMNA | |
| SCHEMBL9861521 | 0.75 | LTA4H (0.47) | KDM4ELIMK1LTA4HHTR2A | |
| SCHEMBL6198894 | 0.73 | GAA (0.48) | BACE1KDM4EMAPTLIMK1LTA4H | |
| SCHEMBL5380250 | 0.71 | KDM4E (0.56) | KDM4ENPSR1LTA4HBCL2BCL2L1 | |
| SCHEMBL9861294 | 0.71 | TACR1 (0.39) | LIMK1BCL2BCL2L1HTR2A | |
| SCHEMBL24332883 | 0.70 | KDM4E (0.47) | BACE1MEN1KMT2AKDM4ELMNA | |
| SCHEMBL9861395 | 0.70 | KMT2A (0.47) | BACE1MEN1KMT2AKDM4ELMNA | |
| SCHEMBL9861634 | 0.69 | KDM4E (0.54) | BACE1MEN1KMT2AKDM4ELMNA | |
| SCHEMBL28492984 | 0.69 | CALM1 (0.55) | MEN1KMT2ABCL2BCL2L1HTR2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |