Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.33 |
| ▸ | ADA | P00813 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19406660 | 0.85 | CYP1A2 (0.39) | P2RX7EPHX2KCNH2TLR8TDP1 | |
| SCHEMBL22792253 | 0.84 | EPHX2 (0.45) | P2RX7EPHX2KCNH2SPHK2SPHK1 | |
| SCHEMBL9232277 | 0.83 | CYP1A2 (0.39) | P2RX7EPHX2KCNH2TLR8CYP1A2 | |
| SCHEMBL16442414 | 0.83 | CYP1A2 (0.39) | P2RX7EPHX2KCNH2TLR8CYP1A2 | |
| SCHEMBL9861980 | 0.83 | EPHX2 (0.39) | P2RX7EPHX2KCNH2SPHK2SPHK1 | |
| SCHEMBL24781618 | 0.82 | P2RX7 (0.44) | P2RX7TSHRMAPK1 | |
| SCHEMBL29744993 | 0.80 | ADA (0.41) | TLR8SPHK1SOAT1ADACYP1A2 | |
| SCHEMBL29417641 | 0.80 | EPHX2 (0.37) | P2RX7EPHX2KCNH2TDP1 | |
| SCHEMBL9861508 | 0.79 | KCNH2 (0.36) | KCNH2TLR8SPHK2SPHK1CYP3A4 | |
| SCHEMBL29741425 | 0.79 | ADA (0.39) | TLR8SOAT1ADACYP1A2CYP2C9 |
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 6 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-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 |