Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.72 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CALCA | P06881 | 2/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1376271 | 0.92 | CYP2C9 (0.60) | CYP2C9KCNH2MAPTCALCAGAA | |
| SCHEMBL1379702 | 0.89 | CYP2C9 (0.76) | CYP2C9KCNH2MAPTCALCAKCNE1 | |
| SCHEMBL1378294 | 0.88 | CYP2C9 (0.80) | CYP2C9KCNH2MAPTCALCAKCNE1 | |
| SCHEMBL2634232 | 0.88 | CYP2C9 (0.80) | CYP2C9KCNH2MAPTCALCAKCNE1 | |
| SCHEMBL1378474 | 0.87 | CYP2C9 (0.81) | CYP2C9KCNH2MAPTCALCAKCNE1 | |
| SCHEMBL1378091 | 0.86 | KCNH2 (0.81) | CYP2C9KCNH2MAPTCALCAKCNE1 | |
| SCHEMBL1375771 | 0.86 | KCNH2 (0.75) | CYP2C9KCNH2MAPTCALCAKCNE1 | |
| SCHEMBL12529638 | 0.86 | CYP2C9 (0.77) | CYP2C9KCNH2MAPTCALCAKCNE1 | |
| SCHEMBL1749374 | 0.86 | CYP2C9 (0.95) | CYP2C9KCNH2MAPTCALCAKCNE1 | |
| SCHEMBL1375824 | 0.86 | KCNH2 (0.77) | CYP2C9KCNH2MAPTCALCAKCNE1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-4733986-B2 | — | — | 2011-07-27 | — | — | JP | claimed |
| EP-1578748-A1 | TETRAHYDRO-4H-PYRIDO [1, 2-A] PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2005-09-28 | — | — | EP | claimed |
| WO-2004058756-A1 | TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2004-07-15 | — | — | WO | claimed |