Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 5/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 5/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31087888 | 1.00 | CYP1A2 (0.56) | CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A | |
| SCHEMBL1154786 | 1.00 | CYP1A2 (0.56) | CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A | |
| SCHEMBL30270396 | 1.00 | CYP1A2 (0.56) | CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A | |
| SCHEMBL12200321 | 1.00 | CYP1A2 (0.56) | CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A | |
| SCHEMBL110315 | 1.00 | CYP1A2 (0.56) | CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A | |
| Acetic Acid SCHEMBL7515736 | 0.90 | ALDH1A1 (0.47) | CYP1A2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL6055103 | 0.88 | HPRT1 (0.54) | CYP1A2ALDH1A1CYP2C9CYP2C19 | |
| Tetrahydrofuran SCHEMBL971565 | 0.86 | CYP1A2 (0.43) | CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A | |
| SCHEMBL5191146 | 0.86 | SLC6A4 (0.45) | CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A | |
| SCHEMBL19667842 | 0.85 | CYP1A2 (0.46) | CYP1A2ALDH1A1CYP2C9CYP2C19KMT2A |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108101740-B | Method for directly converting aromatic alkyne into chiral alcohol by one-pot method | 三峡大学 | 2022-02-01 | — | — | CN | claimed |
| CN-108101741-B | Method for synthesizing chiral alcohol by alkyne hydration/asymmetric hydrogenation tandem | 三峡大学 | 2021-06-29 | — | — | CN | claimed |
| CN-109180496-B | Method for synthesizing cinacalcet by using chemical-enzymatic method | 浙江大学 | 2021-02-09 | — | — | CN | claimed |
| CN-103642849-A | Method of asymmetrically reducing 1-acetonaphthone to optically pure (S)-1-naphthyl-1-ethanol and screening method | TIANJIN ENGINEERING CT OF FOOD PROC | 2014-03-19 | — | — | CN | claimed |
| CN-108101740-B | Method for directly converting aromatic alkyne into chiral alcohol by one-pot method | 三峡大学 | 2022-02-01 | — | — | CN | disclosed |
| CN-108101741-B | Method for synthesizing chiral alcohol by alkyne hydration/asymmetric hydrogenation tandem | 三峡大学 | 2021-06-29 | — | — | CN | disclosed |
| CN-109180496-B | Method for synthesizing cinacalcet by using chemical-enzymatic method | 浙江大学 | 2021-02-09 | — | — | CN | disclosed |
| CN-109180496-B | Method for synthesizing cinacalcet by using chemical-enzymatic method | 浙江大学 | 2021-02-09 | — | — | CN | disclosed |
| CN-110777127-A | Application of branched-chain amino acid transaminase as reductase | 江南大学 | 2020-02-11 | — | — | CN | disclosed |
| CN-109180496-A | A method of utilizing chemoenzymatic synthesis cinacalcet | 浙江大学 | 2019-01-11 | — | — | CN | disclosed |
| US-9663508-B2 | Biaryl acyl-sulfonamide compounds as sodium channel inhibitors | AMGEN INC. (US) | 2017-05-30 | — | — | US | disclosed |
| US-9663508-B2 | Biaryl acyl-sulfonamide compounds as sodium channel inhibitors | AMGEN INC. (US) | 2017-05-30 | — | — | US | disclosed |
| US-5596114-A | ENANTIOSELECTIVE HYDROGENATION CATALYSTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-01-21 | — | — | US | disclosed |
| US-5565593-A | FERROCENYL-1,1'-BIS(DIETHYPHOSPHONITE); CHEMICAL INTERMEDIATES FOR PREPERATION OF PHOSPHOLANE LIGANDS AND CHIRAL COMPLEXES, USEFUL AS CATALYSTS FOR CARRYING OUT ENANTIOSELECTIVE REACTIONS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-10-15 | — | — | US | disclosed |
| US-5532395-A | HYDROGENATION CATALYSTS ) | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-07-02 | — | — | US | disclosed |
| US-5386061-A | Reacting a bis(primary phosphine in the presence of a strong base with a cyclic sulfate; cyclization | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-01-31 | — | — | US | disclosed |
| US-5329015-A | Catalysts for stereospecific reactions | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-07-12 | — | — | US | disclosed |
| EP-0592552-A1 | CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES. | DU PONT (US) | 1994-04-20 | — | — | EP | disclosed |
| WO-1993001199-A1 | CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-01-21 | — | — | WO | disclosed |
| US-5171892-A | Chiral phospholanes via chiral 1,4-diol cyclic sulfates | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-12-15 | — | — | US | disclosed |