Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.35 |
| ▸ | FEN1 | P39748 | 3/20 | 0.35 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.35 |
| ▸ | RBP4 | P02753 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL9862064 | 0.81 | GAA (0.41) | HTR2CBACE1KDM4EMEN1MAPT | |
| SCHEMBL9861402 | 0.73 | HTR2C (0.49) | HTR2CGAATDP1ALOX5APFEN1 | |
| SCHEMBL29721046 | 0.72 | HTR2C (0.70) | HTR2CGAATDP1RBP4CUL4A | |
| SCHEMBL1919230 | 0.72 | HTR2C (0.70) | HTR2CGAATDP1RBP4CUL4A | |
| SCHEMBL29720917 | 0.71 | HTR2C (0.68) | HTR2CGAATDP1RBP4CUL4A | |
| SCHEMBL15156609 | 0.71 | HTR2C (0.68) | HTR2CGAATDP1RBP4CUL4A | |
| SCHEMBL13349962 | 0.70 | TSHR (0.50) | HTR2CMAPK1GAA | |
| SCHEMBL24332883 | 0.69 | KDM4E (0.47) | LMNASMN1; SMN2BACE1KDM4EMEN1 | |
| SCHEMBL9861395 | 0.69 | KMT2A (0.47) | LMNASMN1; SMN2BACE1KDM4EMEN1 | |
| SCHEMBL28247607 | 0.69 | HTR2C (0.70) | HTR2CGAATDP1RBP4CUL4A |
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 |