Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 3/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | OR51E2 | Q9H255 | 3/20 | 0.35 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.34 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.32 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.32 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.32 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.31 |
| ▸ | TET3 | O43151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17285692 | 1.00 | GABRR1 (0.64) | GABRR1LMNASLC22A6OR51E2GABBR2 | |
| SCHEMBL16585355 | 0.80 | GABRR1 (0.41) | GABRR1LMNASLC22A6OR51E2 | |
| Gamma-Amino-Beta-Hydroxybutyric Acid SCHEMBL1555143 | 0.78 | — | — | |
| Gamma-Amino-Beta-Hydroxybutyric Acid SCHEMBL10421299 | 0.78 | GABRR1 (1.00) | GABRR1LMNASLC22A6OR51E2GABBR2 | |
| Gamma-Amino-Beta-Hydroxybutyric Acid SCHEMBL2940090 | 0.78 | — | — | |
| Gamma-Amino-Beta-Hydroxybutyric Acid SCHEMBL38621 | 0.78 | — | — | |
| Oxalic Acid SCHEMBL29242433 | 0.77 | GABRR1 (0.60) | GABRR1LMNASLC22A6OR51E2GABBR2 | |
| SCHEMBL13218496 | 0.77 | GABRR1 (0.54) | GABRR1LMNASLC22A6GABBR2GABBR1 | |
| SCHEMBL285410 | 0.77 | CPB2 (0.41) | GABRR1LMNASLC22A6GABBR2GABBR1 | |
| SCHEMBL15819973 | 0.76 | OR51E2 (0.43) | GABRR1LMNASLC22A6OR51E2MAPK1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2486404-A1 | METABOLIC BIOMARKERS OF DRUG-INDUCED CARDIOTOXICITY | Wisconsin Alumni Research Foundation (US) | 2012-08-15 | — | — | EP | claimed |
| WO-2011044253-A1 | METABOLIC BIOMARKERS OF DRUG-INDUCED CARDIOTOXICITY | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2011-04-14 | — | — | WO | claimed |
| US-20110081675-A1 | Metabolic Biomarkers Of Drug-Induced Cardiotoxicity | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2011-04-07 | — | — | US | claimed |
| WO-2001077366-A1 | POSITIVE SELECTION METHOD, COMPOUNDS, HOST CELLS AND USES THEREOF | CUBIST PHARMACEUTICALS, INC. (US) | 2001-10-18 | — | — | WO | claimed |
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| EP-2486404-A1 | METABOLIC BIOMARKERS OF DRUG-INDUCED CARDIOTOXICITY | Wisconsin Alumni Research Foundation (US) | 2012-08-15 | — | — | EP | disclosed |
| US-8101661-B2 | Polar hydrophilic prodrugs and non-standard amino acid conjugates of amphetamine and other stimulants and processes for making and using the same | KEMPHARM, INC. (US) | 2012-01-24 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |
| EP-2101571-B1 | ORNITHINE CONJUGATES OF AMPHETAMINE AND PROCESSES FOR MAKING AND USING THE SAME | KEMPHARM INC (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2011044253-A1 | METABOLIC BIOMARKERS OF DRUG-INDUCED CARDIOTOXICITY | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2011-04-14 | — | — | WO | disclosed |
| US-20110081675-A1 | Metabolic Biomarkers Of Drug-Induced Cardiotoxicity | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2011-04-07 | — | — | US | disclosed |
| US-20100292336-A1 | Polar Hydrophilic Prodrugs and Non-Standard Amino Acid Conjugates of Amphetamine and Other Stimulants and Processes for Making and Using the Same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-11-18 | — | — | US | disclosed |
| US-7776917-B2 | Non-standard amino acid conjugates of amphetamine and processes for making and using the same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-17 | — | — | US | disclosed |
| CN-101594778-A | Non-standard amino acid conjugates of amphetamine and methods of making and using same | KEMPHARM INC (US) | 2009-12-02 | — | — | CN | disclosed |
| EP-2101571-A1 | NON-STANDARD AMINO ACID CONJUGATES OF AMPHETAMINE AND PROCESSES FOR MAKING AND USING THE SAME | Kempharm, Inc. (US) | 2009-09-23 | — | — | EP | disclosed |
| US-20090234018-A1 | Non-Standard Amino Acid Conjugates of Amphetamine and Processes for Making and Using the Same | SHIRE LLC | 2009-09-17 | — | — | US | disclosed |
| WO-2008073918-A1 | NON-STANDARD AMINO ACID CONJUGATES OF AMPHETAMINE AND PROCESSES FOR MAKING AND USING THE SAME | KEMPHARM, INC. (US) | 2008-06-19 | — | — | WO | disclosed |
| US-20080139653-A1 | Non-standard amino acid conjugates of amphetamine and processes for making and using the same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-06-12 | — | — | US | disclosed |
| WO-2001077366-A1 | POSITIVE SELECTION METHOD, COMPOUNDS, HOST CELLS AND USES THEREOF | CUBIST PHARMACEUTICALS, INC. (US) | 2001-10-18 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100292336-A1 | Polar Hydrophilic Prodrugs and Non-Standard Amino Acid Conjugates of Amphetamine and Other Stimulants and Processes for Making and Using the Same | SLC18A2, SLC6A19, SLC6A2 | GABRR1 1241/4885LMNA 4046/4885SLC22A6 248/4885 |
| US-20090234018-A1 | Non-Standard Amino Acid Conjugates of Amphetamine and Processes for Making and Using the Same | SLC6A3, AADAT, SLC6A2 | GABRR1 807/4885LMNA 4414/4885SLC22A6 492/4885 |
| US-20080139653-A1 | Non-standard amino acid conjugates of amphetamine and processes for making and using the same | SLC6A3, AADAT, SLC6A2 | GABRR1 807/4885LMNA 4414/4885SLC22A6 492/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.