Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.31 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | RHEB | Q15382 | 2/20 | 0.31 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL25802549 | 0.77 | AAK1 (0.38) | ALDH1A1CACNA1H | |
| SCHEMBL5778409 | 0.76 | HTT (0.56) | HTTADORA3SMN1; SMN2ALDH1A1 | |
| SCHEMBL29491150 | 0.76 | HTT (0.56) | HTTADORA3SMN1; SMN2ALDH1A1 | |
| SCHEMBL3209801 | 0.70 | HTT (0.41) | HTTGAAADORA1ADORA3ADORA2A | |
| SCHEMBL4363219 | 0.69 | GAA (0.43) | HTTGAAADORA1ADORA3ADORA2A | |
| SCHEMBL10284437 | 0.69 | CACNA1H (0.51) | HTTGAAADORA1CACNA1HCACNA1G | |
| SCHEMBL18050722 | 0.69 | AR (0.33) | HTT | |
| SCHEMBL29439058 | 0.68 | F10 (0.48) | HTTGAAADORA1ADORA3ADORA2A | |
| SCHEMBL1918622 | 0.68 | DDAH1 (0.53) | HTTGAAADORA1ADORA3ADORA2A | |
| SCHEMBL27997290 | 0.68 | GAA (0.42) | HTTGAAADORA1ADORA3ADORA2A |
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-1472254-A4 | PURINE AND ISOSTERIC ANTIBACTERIAL COMPOUNDS | GLSYNTHESIS INC (US) | 2006-02-15 | — | — | EP | disclosed |
| US-6926763-B2 | Purine and isosteric antibacterial compounds | GLSYNTHESIS, INC. (US) | 2005-08-09 | — | — | US | disclosed |
| EP-1472254-A2 | PURINE AND ISOSTERIC ANTIBACTERIAL COMPOUNDS | Glsynthesis Inc. (US) | 2004-11-03 | — | — | EP | disclosed |
| WO-2003066586-A2 | PURINE AND ISOSTERIC ANTIBACTERIAL COMPOUNDS | GLSYNTHESIS INC. (US) | 2003-08-14 | — | — | WO | disclosed |