Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.42 |
| ▸ | GUSB | P08236 | 2/20 | 0.41 |
| ▸ | DHODH | Q02127 | 3/20 | 0.40 |
| ▸ | BLM | P54132 | 5/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | WRN | Q14191 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6154319 | 0.75 | ROCK1 (0.45) | ROCK2ROCK1GUSBDHODHBLM | |
| SCHEMBL6155161 | 0.71 | GUSB (0.60) | ROCK2ROCK1GUSBBLMKMT2A | |
| SCHEMBL6153472 | 0.70 | GUSB (0.53) | ROCK2ROCK1GUSBDHODHBLM | |
| SCHEMBL7148341 | 0.69 | GUSB (0.55) | ROCK2ROCK1GUSBDHODHBLM | |
| SCHEMBL6154382 | 0.69 | GUSB (0.40) | ROCK2ROCK1GUSBDHODHBLM | |
| SCHEMBL6153748 | 0.68 | GUSB (0.54) | ROCK2ROCK1GUSBBLMKMT2A | |
| SCHEMBL6153683 | 0.68 | GUSB (0.51) | ROCK2ROCK1GUSBDHODHBLM | |
| SCHEMBL6153810 | 0.68 | KMO (0.55) | ROCK2ROCK1GUSBDHODHBLM | |
| SCHEMBL6153833 | 0.68 | GUSB (0.48) | GUSBBLMKMT2AKDM4EMEN1 | |
| SCHEMBL6154890 | 0.67 | DHODH (0.44) | ROCK2ROCK1GUSBDHODHBLM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1446110-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | Structural Bioinformatics Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003032916-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | STRUCTURAL BIOINFORMATICS INC. (US) | 2003-04-24 | — | — | WO | disclosed |