Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL11256545 | 0.79 | SIGMAR1 (0.47) | SIGMAR1ATMCFTRGOPCMAOB | |
| SCHEMBL6704259 | 0.79 | SIGMAR1 (0.47) | SIGMAR1ATMCFTRGOPCMAOB | |
| SCHEMBL29818629 | 0.79 | SIGMAR1 (0.47) | SIGMAR1ATMCFTRGOPCMAOB | |
| SCHEMBL30499348 | 0.79 | KDM4E (0.57) | MAOBKDM4EARCYP19A1HSD17B10 | |
| SCHEMBL31190168 | 0.77 | SIGMAR1 (0.45) | SIGMAR1ATMCFTRGOPCMAOB | |
| SCHEMBL1534682 | 0.77 | SIGMAR1 (0.45) | SIGMAR1ATMCFTRGOPCMAOB | |
| SCHEMBL2022537 | 0.77 | SIGMAR1 (0.45) | SIGMAR1ATMCFTRGOPCMAOB | |
| SCHEMBL927371 | 0.77 | SIGMAR1 (0.45) | SIGMAR1ATMCFTRGOPCMAOB | |
| SCHEMBL9278695 | 0.77 | ATM (0.47) | SIGMAR1ATMCFTRGOPCMAOB | |
| SCHEMBL753626 | 0.77 | SIGMAR1 (0.45) | SIGMAR1ATMCFTRGOPCMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2376408-A2 | FLUORINATION OF ORGANIC COMPOUNDS | President and Fellows of Harvard College (US) | 2011-10-19 | — | — | EP | claimed |
| WO-2010059943-A2 | FLUORINATION OF ORGANIC COMPOUNDS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-05-27 | — | — | WO | claimed |
| US-5399584-A | Preventing gastrointestinal damage caused by nonsteroidal antiinflammatory drugs | THE PROCTER & GAMBLE COMPANY (US) | 1995-03-21 | — | — | US | claimed |
| US-5399584-A | Preventing gastrointestinal damage caused by nonsteroidal antiinflammatory drugs | THE PROCTER & GAMBLE COMPANY (US) | 1995-03-21 | — | — | US | disclosed |