Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 6/20 | 0.69 |
| ▸ | GABBR1 | Q9UBS5 | 6/20 | 0.69 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL1859129 | 0.88 | GABBR2 (0.52) | GABBR2GABBR1CYP1A2CYP2D6PKM | |
| SCHEMBL27509017 | 0.82 | GABBR2 (0.47) | GABBR2GABBR1CYP1A2CYP2D6PKM | |
| SCHEMBL339758 | 0.81 | GABBR2 (1.00) | GABBR2GABBR1CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL28968674 | 0.81 | GABBR2 (1.00) | GABBR2GABBR1CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL339757 | 0.81 | GABBR2 (1.00) | GABBR2GABBR1CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL6728558 | 0.81 | CCR5 (0.50) | GABBR2GABBR1CYP1A2CYP2D6PKM | |
| SCHEMBL28363012 | 0.79 | GABBR2 (0.49) | GABBR2GABBR1CYP1A2CYP2D6PKM | |
| SCHEMBL2935549 | 0.77 | SRC (0.48) | GABBR2GABBR1TAAR1HTR2ACYP2D6 | |
| SCHEMBL28614078 | 0.77 | GABBR2 (0.42) | GABBR2GABBR1CYP1A2CYP2D6PKM | |
| SCHEMBL28614077 | 0.77 | GABBR2 (0.42) | GABBR2GABBR1CYP1A2CYP2D6PKM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102659643-A | Method for preparing substituted homotaurine from alpha, beta-unsaturated amide | UNIV BEIJING CHEMICAL | 2012-09-12 | — | — | CN | disclosed |
| EP-1812412-B1 | SUBSTITUTED BENZOYLGUANIDINES METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT OR DIAGNOSTIC AND MEDICAMENT COMPRISING THE SAME | SANOFI AVENTIS DEUTSCHLAND (DE) | 2008-04-23 | — | — | EP | disclosed |
| EP-1812412-A1 | SUBSTITUTED BENZOYLGUANIDINES METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT OR DIAGNOSTIC AND MEDICAMENT COMPRISING THE SAME | Sanofi-Aventis Deutschland GmbH (DE) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006050830-A1 | SUBSTITUTED BENZOYLGUANIDINES METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT OR DIAGNOSTIC AND MEDICAMENT COMPRISING THE SAME | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-05-18 | — | — | WO | disclosed |