Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.65 |
| ▸ | CES2 | O00748 | 4/20 | 0.54 |
| ▸ | CES1 | P23141 | 4/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | ALB | P02768 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL105255 | 0.86 | CES2 (0.64) | ALDH1A1ALOX15CES2CES1BCHE | |
| SCHEMBL8702458 | 0.86 | CES2 (0.59) | ALDH1A1ALOX15CES2CES1BCHE | |
| SCHEMBL15578239 | 0.84 | CES2 (0.61) | ALDH1A1ALOX15CES2CES1BCHE | |
| SCHEMBL893277 | 0.84 | ALDH1A1 (0.56) | ALDH1A1ALOX15CES2CES1BCHE | |
| SCHEMBL27900422 | 0.83 | ALDH1A1 (0.60) | ALDH1A1ALOX15CES2CES1BCHE | |
| SCHEMBL853194 | 0.81 | ALDH1A1 (0.53) | ALDH1A1ALOX15CES2CES1KMT2A | |
| SCHEMBL104744 | 0.80 | CES2 (0.68) | ALDH1A1ALOX15CES2CES1BCHE | |
| Methylene Chloride SCHEMBL28186741 | 0.80 | CES2 (0.56) | ALDH1A1ALOX15CES2CES1BCHE | |
| SCHEMBL30733529 | 0.79 | ALDH1A1 (1.00) | ALDH1A1ALOX15CES2CES1BCHE | |
| SCHEMBL60101 | 0.79 | ALDH1A1 (1.00) | ALDH1A1ALOX15CES2CES1BCHE |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0253837-B1 | CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING BRANCHED ALKYL PYRIDINIUM SALTS | MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) | 1991-10-09 | — | — | EP | disclosed |
| EP-0252964-B1 | CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING SUBSTITUTED PYRIDINIUM SALTS | MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) | 1991-08-21 | — | — | EP | disclosed |
| EP-0253838-B1 | CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING N-SEC-ALKYL PYRIDINIUM SALTS | MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) | 1991-08-21 | — | — | EP | disclosed |
| US-4973771-A | Phase transfer catalysts | MALLINCKRODT, INC. (US) | 1990-11-27 | — | — | US | disclosed |
| US-4973772-A | Catalytic method for producing fluoroarmatic compounds using substituted pyridinium salts | MALLINCKRODT, INC. (US) | 1990-11-27 | — | — | US | disclosed |
| EP-0253836-B1 | PREPARATION OF FLUOROAROMATIC COMPOUNDS IN DISPERSION OF POTASSIUM FLUORIDE | Mallinckrodt, Inc. (a Delaware corporation) (US) | 1990-10-03 | — | — | EP | disclosed |
| US-4927980-A | REACTING CHLOROAROMATIC COMPOUND WITH ALKALI METAL FLUORIDE SALTS | MALLINCKRODT INC. (US) | 1990-05-22 | — | — | US | disclosed |
| US-4849552-A | METHANOL, AROMATIC HYDROCARBON OR HALOCARBON, AZEOTROPES | MALLINCKRODT, INC. (US) | 1989-07-18 | — | — | US | disclosed |
| EP-0252964-A4 | CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING SUBSTITUTED PYRIDINIUM SALTS. | MALLINCKRODT INC (US) | 1988-07-14 | — | — | EP | disclosed |
| EP-0253836-A4 | PREPARATION OF FLUOROAROMATIC COMPOUNDS IN DISPERSION OF POTASSIUM FLUORIDE. | MALLINCKRODT INC (US) | 1988-04-27 | — | — | EP | disclosed |
| EP-0253837-A4 | CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING BRANCHED ALKYL PYRIDINIUM SALTS. | MALLINCKRODT INC (US) | 1988-04-26 | — | — | EP | disclosed |
| EP-0253836-A1 | PREPARATION OF FLUOROAROMATIC COMPOUNDS IN DISPERSION OF POTASSIUM FLUORIDE. | MALLINCKRODT INC (US) | 1988-01-27 | — | — | EP | disclosed |
| EP-0253837-A1 | CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING BRANCHED ALKYL PYRIDINIUM SALTS. | MALLINCKRODT INC (US) | 1988-01-27 | — | — | EP | disclosed |
| EP-0252964-A1 | CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING SUBSTITUTED PYRIDINIUM SALTS. | MALLINCKRODT INC (US) | 1988-01-20 | — | — | EP | disclosed |
| WO-1987004148-A1 | CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING BRANCHED ALKYL PYRIDINIUM SALTS | MALLINCKRODT, INC. (US) | 1987-07-16 | — | — | WO | disclosed |
| WO-1987004149-A1 | PHASE TRANSFER CATALYSTS | MALLINCKRODT, INC. (US) | 1987-07-16 | — | — | WO | disclosed |
| WO-1987004151-A1 | PREPARATION OF FLUOROAROMATIC COMPOUNDS IN DISPERSION OF POTASSIUM FLUORIDE | MALLINCKRODT, INC. (US) | 1987-07-16 | — | — | WO | disclosed |
| WO-1987004150-A1 | CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING SUBSTITUTED PYRIDINIUM SALTS | MALLINCKRODT, INC. (US) | 1987-07-16 | — | — | WO | disclosed |