Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 4/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | EIF4E | P06730 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3301776 | 0.89 | ROCK1 (0.43) | ROCK1GPR119HTR2CSIRT2MEN1 | |
| SCHEMBL4440927 | 0.86 | GPR119 (0.41) | ROCK1GPR119ADRB2ADRB1ADRB3 | |
| SCHEMBL3301780 | 0.83 | ROCK1 (0.42) | ROCK1GPR119HTR2CSIRT2MEN1 | |
| SCHEMBL4434092 | 0.83 | ROCK1 (0.44) | ROCK1HTR2CSIRT2MEN1KMT2A | |
| SCHEMBL3295550 | 0.80 | ROCK1 (0.45) | ROCK1HTR2CADRB2ADRB1ADRB3 | |
| SCHEMBL3299789 | 0.76 | ROCK1 (0.43) | ROCK1GPR119HTR2CSIRT2MEN1 | |
| SCHEMBL3294743 | 0.75 | ROCK1 (0.51) | ROCK1HTR2CSIRT2ADRB2ADRB1 | |
| SCHEMBL3016231 | 0.74 | ROCK1 (0.54) | ROCK1HTR2CSIRT2KMT2ADRD4 | |
| SCHEMBL3301542 | 0.72 | ROCK1 (0.54) | ROCK1HTR2CMEN1KMT2AMKNK1 | |
| SCHEMBL3299787 | 0.71 | ROCK1 (0.40) | ROCK1GPR119HTR2CSIRT2MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121600-B1 | SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INT (DE) | 2012-07-18 | — | — | EP | disclosed |
| EP-2121600-A2 | SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | Boehringer Ingelheim International GmbH (DE) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008099000-A2 | SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-08-21 | — | — | WO | disclosed |