Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 5/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.38 |
| ▸ | PARP3 | Q9Y6F1 | 2/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3113082 | 0.87 | GRM2 (0.47) | PARP1PARP2PARP3SCN9AGRM2 | |
| SCHEMBL6649687 | 0.87 | GRM2 (0.47) | PARP1PARP2PARP3SCN9AGRM2 | |
| SCHEMBL465831 | 0.77 | ALDH1A1 (0.42) | CYP2C19HIF1ASIGMAR1 | |
| SCHEMBL6672306 | 0.76 | ALDH1A1 (0.55) | CHEK1ACHECYP2C19PARP1PARP2 | |
| SCHEMBL2826624 | 0.75 | ADORA3 (0.37) | PARP1 | |
| SCHEMBL13729259 | 0.73 | SORD (0.40) | CYP2C19GRM2 | |
| SCHEMBL12058708 | 0.73 | TNKS (0.49) | PARP1SIGMAR1 | |
| SCHEMBL3947074 | 0.73 | ALDH1A1 (0.40) | HIF1A | |
| SCHEMBL12041197 | 0.73 | SIGMAR1 (0.48) | CYP2C19HIF1ASIGMAR1 | |
| SCHEMBL3317696 | 0.73 | HRH3 (0.59) | CHEK1ACHEHIF1APARP1PARP2 |
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-1441734-A1 | DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003035076-A1 | DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2003-05-01 | — | — | WO | disclosed |