Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.47 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | MC3R | P41968 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28430357 | 1.00 | SLC1A5 (0.47) | SLC1A5SIRT6IDO1POLBADORA3 | |
| Serine SCHEMBL22367625 | 0.82 | SIRT6 (0.48) | SIRT6ADORA3TSHRMC4RADRA1A | |
| Serine SCHEMBL20946271 | 0.82 | SIRT6 (0.48) | SIRT6ADORA3TSHRMC4RADRA1A | |
| Serine SCHEMBL4378456 | 0.82 | SIRT6 (0.48) | SIRT6ADORA3TSHRMC4RADRA1A | |
| D-Aspartate SCHEMBL4441146 | 0.77 | SIRT6 (0.47) | SIRT6ADORA3TSHRMC4RADRA1A | |
| Aspartic Acid SCHEMBL20946365 | 0.77 | SIRT6 (0.47) | SIRT6ADORA3TSHRMC4RADRA1A | |
| SCHEMBL4441919 | 0.76 | SLC1A1 (0.57) | IDO1SLC7A5KMT2A | |
| SCHEMBL18230704 | 0.71 | SIRT6 (0.41) | SIRT6POLBADORA3TSHRMC4R | |
| SCHEMBL2635320 | 0.71 | SIRT6 (0.73) | SIRT6ADORA3TSHRMC4RADRA1A | |
| SCHEMBL17712841 | 0.69 | SIRT6 (0.64) | SIRT6ADORA3TSHRMC4RADRA1A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2029554-B1 | PYRAZINE DERIVATIVES AND USES THEREOF IN RENAL MONITORING | MEDIBEACON LLC (US) | 2014-03-19 | — | — | EP | disclosed |
| EP-2131861-A2 | INTEGRATED PHOTOACTIVE SMALL MOLECULES AND USES THEREOF | Mallinckrodt Inc. (US) | 2009-12-16 | — | — | EP | disclosed |
| EP-2029554-A1 | PYRAZINE DERIVATIVES AND USES THEREOF IN RENAL MONITORING | Mallinckrodt, Inc. (US) | 2009-03-04 | — | — | EP | disclosed |
| WO-2008108944-A2 | INTEGRATED PHOTOACTIVE SMALL MOLECULES AND USES THEREOF | MALLINCKRODT INC. (US) | 2008-09-12 | — | — | WO | disclosed |
| WO-2007149479-A1 | PYRAZINE DERIVATIVES AND USES THEREOF IN RENAL MONITORING | MALLINCKRODT INC. (US) | 2007-12-27 | — | — | WO | disclosed |