Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 3/20 | 0.33 |
| ▸ | GLB1 | P16278 | 3/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.32 |
| ▸ | GUSB | P08236 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | GBA2 | Q9HCG7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10812277 | 0.98 | S1PR1 (0.40) | S1PR1S1PR3S1PR2S1PR4S1PR5 | |
| SCHEMBL1144605 | 0.94 | GLB1 (0.37) | S1PR1S1PR3GLB1 | |
| SCHEMBL6050339 | 0.86 | — | — | |
| SCHEMBL7516896 | 0.79 | — | — | |
| SCHEMBL7513441 | 0.78 | PNMT (0.31) | — | |
| SCHEMBL3122255 | 0.77 | — | — | |
| SCHEMBL2916324 | 0.74 | — | — | |
| SCHEMBL2916789 | 0.73 | — | — | |
| SCHEMBL2918259 | 0.73 | — | — | |
| SCHEMBL5452519 | 0.73 | CHRNB2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101495476-A | (3-aryl-piperazin-1-yl), (2-aryl-morpholin-4-yl) and (2-aryl- thiomorpholin-4-yl) derivatives of 6,7-dialkoxyquinazoline, 6,7- dialkoxyphtalazine and 6,7-dialkoxyisoquinoline | LUNDBECK & CO AS H (DK) | 2009-07-29 | — | — | CN | disclosed |
| EP-2057153-A1 | (3-ARYL-PIPERAZIN-1-YL), (2-ARYL-MORPHOLIN-4-YL) AND (2-ARYL- THIOMORPHOLIN-4-YL) DERIVATIVES OF 6,7-DIALKOXYQUINAZOLINE, 6,7- DIALKOXYPHTALAZINE AND 6,7-DIALKOXYISOQUINOLINE | H.Lundbeck A/S (DK) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008006372-A1 | (3-ARYL-PIPERAZIN-1-YL), (2-ARYL-MORPHOLIN-4-YL) AND (2-ARYL- THIOMORPHOLIN-4-YL) DERIVATIVES OF 6,7-DIALKOXYQUINAZOLINE, 6,7- DIALKOXYPHTALAZINE AND 6,7-DIALKOXYISOQUINOLINE | H. LUNDBECK A/S (DK) | 2008-01-17 | — | — | WO | disclosed |