Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TYR | P14679 | 2/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18606651 | 0.89 | ESR1 (0.53) | ALDH1A1ALOX15HSD17B10TDP1HPGD | |
| SCHEMBL9861813 | 0.85 | ALDH1A1 (0.53) | ALDH1A1ALOX15HSD17B10TDP1HPGD | |
| SCHEMBL1599382 | 0.84 | ALDH1A1 (0.59) | ALDH1A1ALOX15HSD17B10TDP1HPGD | |
| SCHEMBL7769611 | 0.82 | ESR1 (0.48) | ALDH1A1ALOX15HSD17B10TDP1HPGD | |
| SCHEMBL29364103 | 0.81 | ALDH1A1 (0.67) | ALDH1A1ALOX15HSD17B10TDP1HPGD | |
| SCHEMBL109921 | 0.81 | ALDH1A1 (0.67) | ALDH1A1ALOX15HSD17B10TDP1HPGD | |
| SCHEMBL3859151 | 0.79 | ALDH1A1 (0.64) | ALDH1A1ALOX15HSD17B10TDP1HPGD | |
| Hydrochloric Acid SCHEMBL4359705 | 0.79 | ALDH1A1 (0.64) | ALDH1A1ALOX15HSD17B10TDP1HPGD | |
| SCHEMBL13412020 | 0.79 | ALDH1A1 (0.64) | ALDH1A1ALOX15HSD17B10TDP1HPGD | |
| SCHEMBL28420832 | 0.79 | ALDH1A1 (0.64) | ALDH1A1ALOX15HSD17B10TDP1HPGD |
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 |