Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 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 | |
|---|---|---|---|---|
| SCHEMBL3153144 | 0.70 | CALM1 (0.45) | NR1H2NR1H3CALM1TSHRALDH1A1 | |
| SCHEMBL15302510 | 0.70 | CALM1 (0.45) | NR1H2NR1H3CALM1TSHRALDH1A1 | |
| SCHEMBL11725150 | 0.70 | TSHR (0.48) | NR1H2NR1H3CALM1TSHRALDH1A1 | |
| SCHEMBL1728429 | 0.69 | CALM1 (0.50) | CALM1TSHRALDH1A1IDO1TP53 | |
| SCHEMBL11240991 | 0.69 | CALM1 (0.50) | CALM1TSHRALDH1A1IDO1TP53 | |
| SCHEMBL15302419 | 0.67 | TP53 (0.43) | NR1H2NR1H3CALM1TSHRALDH1A1 | |
| SCHEMBL3406066 | 0.67 | TP53 (0.43) | NR1H2NR1H3CALM1TSHRALDH1A1 | |
| SCHEMBL31167450 | 0.66 | NR1H2 (0.46) | NR1H2NR1H3CES1CALM1ALDH1A1 | |
| SCHEMBL31167449 | 0.66 | NR1H2 (0.46) | NR1H2NR1H3CES1CALM1ALDH1A1 | |
| SCHEMBL15302661 | 0.65 | TSHR (0.48) | NR1H2NR1H3CES1CALM1TSHR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5302752-A | Acetic acid derivatives and their production | ETHYL CORPORATION (US) | 1994-04-12 | — | — | US | disclosed |
| EP-0426333-A2 | Acetic acid derivatives and their production | ETHYL CORPORATION (US) | 1991-05-08 | — | — | EP | disclosed |
| 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 |