Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 14/20 | 0.44 |
| ▸ | HTR2C | P28335 | 14/20 | 0.44 |
| ▸ | HTR2B | P41595 | 14/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 14/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8063906 | 1.00 | HTR2A (0.44) | HTR2AHTR2CHTR2BHRH3SIGMAR1 | |
| SCHEMBL17835702 | 1.00 | HTR2A (0.44) | HTR2AHTR2CHTR2BHRH3SIGMAR1 | |
| SCHEMBL17559139 | 1.00 | HTR2A (0.44) | HTR2AHTR2CHTR2BHRH3SIGMAR1 | |
| SCHEMBL9772360 | 1.00 | HTR2A (0.44) | HTR2AHTR2CHTR2BHRH3SIGMAR1 | |
| SCHEMBL7764372 | 0.82 | SLC6A2 (0.37) | HTR2AHTR2CHTR2BHRH3SIGMAR1 | |
| SCHEMBL5730688 | 0.82 | HTR2A (0.40) | HTR2AHTR2CHTR2BHRH3SIGMAR1 | |
| SCHEMBL2444502 | 0.81 | KCNE1 (0.37) | HTR2AHTR2CHTR2BHRH3SIGMAR1 | |
| SCHEMBL30832970 | 0.81 | KCNE1 (0.37) | HTR2AHTR2CHTR2BHRH3SIGMAR1 | |
| SCHEMBL7761032 | 0.80 | SIGMAR1 (0.48) | SIGMAR1 | |
| SCHEMBL9772397 | 0.79 | SLC18A3 (0.50) | HTR2AHTR2CHTR2BHRH3SIGMAR1 |
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-6025177-A | ENANTIOSELECTIVE SYNTHESIS OF CHIRAL ALPHA-HYDROXYCARBOXYLATE BY REACTING A PROCHIRAL ALPHA-KETOCARBOXYLIC ACID WITH A SINGLE ENANTIOMER OF AN N-SUBSTITUTED VICINAL AMINOALCOHOL OF SPECIFIC CYCLOHYDROCARBONS TO FORM ALPHA-HYDROXYCARBOXYLATE | SEPRACOR INC. (US) | 2000-02-15 | — | — | US | claimed |
| WO-1999050205-A2 | ASYMMETRIC GRIGNARD SYNTHESIS WITH CYCLIC 1,2 AMINOALCOHOLS | SEPRACOR INC. (US) | 1999-10-07 | — | — | WO | claimed |
| EP-2887964-A1 | COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS | Ardelyx, Inc. (US) | 2015-07-01 | — | — | EP | disclosed |
| WO-2014029983-A1 | COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS | ARDELYX, INC. (US) | 2014-02-27 | — | — | WO | disclosed |
| CN-102584801-A | One-pot asymmetric synthesis process of HIV reverse transcriptase inhibitor efavirenz compounds | SHANGHAI INST ORGANIC CHEM | 2012-07-18 | — | — | CN | disclosed |
| US-6271395-B1 | E.G.,(.+-.)-N-(2,3-DIHYDRO-2-(1-PYRROLIDINYL)-1H-INDEN-1-Y1) -2 ,4-DINITRO-N-METHYL-BENZENE-ACETAMIDE; STRONG AFFINITY FOR OPTICAL RECEPTORS, CENTRAL ANALGESIC, DIURETIC, ANTIARRYTHMIC, HYPOTENSIVE AND ANTIISCHEMIC ACTIVITY. | HOECHST MARION ROUSSOL (FR) | 2001-08-07 | — | — | US | disclosed |
| US-6025177-A | ENANTIOSELECTIVE SYNTHESIS OF CHIRAL ALPHA-HYDROXYCARBOXYLATE BY REACTING A PROCHIRAL ALPHA-KETOCARBOXYLIC ACID WITH A SINGLE ENANTIOMER OF AN N-SUBSTITUTED VICINAL AMINOALCOHOL OF SPECIFIC CYCLOHYDROCARBONS TO FORM ALPHA-HYDROXYCARBOXYLATE | SEPRACOR INC. (US) | 2000-02-15 | — | — | US | disclosed |
| US-6013830-A | CHEMICAL INTERMEDIATES FOR OXYBUTYNIN, OXYPHENCYCLIMINE, OXYPHENONIUM BROMIDE, OXYPYRRONIUM BROMIDE, AND OXYSONIUM IODIDE, FOR WHICH CYCLOHEXYLPHENYLGLYCOLIC ACID (CHPGA) IS OF SPECIAL INTEREST; STEREOSELECTIVITY | SEPRACOR INC. (US) | 2000-01-11 | — | — | US | disclosed |
| WO-1999050205-A2 | ASYMMETRIC GRIGNARD SYNTHESIS WITH CYCLIC 1,2 AMINOALCOHOLS | SEPRACOR INC. (US) | 1999-10-07 | — | — | WO | disclosed |