Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATIC | P31939 | 13/20 | 0.73 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.37 |
| ▸ | F9 | P00740 | 2/20 | 0.34 |
| ▸ | F10 | P00742 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20725796 | 0.91 | ATIC (0.71) | ATICJAK2TNNI3KTHRBNOD1 | |
| SCHEMBL20725843 | 0.88 | ATIC (0.82) | ATICTHRBNOD1 | |
| SCHEMBL20725825 | 0.87 | ATIC (0.81) | ATICTHRB | |
| SCHEMBL17808557 | 0.86 | ATIC (0.77) | ATICJAK2THRB | |
| SCHEMBL17801545 | 0.85 | ATIC (0.84) | ATICJAK2THRB | |
| SCHEMBL17808614 | 0.85 | ATIC (0.84) | ATICJAK2THRB | |
| SCHEMBL17801595 | 0.85 | ATIC (0.84) | ATICTHRB | |
| SCHEMBL17801547 | 0.85 | ATIC (0.84) | ATICJAK2THRB | |
| SCHEMBL17801507 | 0.84 | ATIC (1.00) | ATICTHRB | |
| SCHEMBL17801537 | 0.84 | ATIC (1.00) | ATIC |
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-3227279-B1 | 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS | LILLY CO ELI (US) | 2019-02-13 | — | — | EP | disclosed |
| US-9776992-B2 | 1-oxo-1,2-dihydroisoquinolin-7-yl-(5-substituted-thiophen-2-yl)-sulfonamide compounds, formulations containing those compounds, and their use as AICARFT inhibitors in the treatment of cancers | ELI LILLY AND COMPANY (US) | 2017-10-03 | — | — | US | disclosed |