Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CALCA | P06881 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2207787 | 0.91 | CYP2C9 (0.78) | CYP2C9KCNH2ALDH1A1KCNE1CCR1 | |
| SCHEMBL2202296 | 0.88 | CYP2C9 (0.65) | CYP2C9KCNH2ALDH1A1KCNE1CCR1 | |
| SCHEMBL4505298 | 0.87 | CYP2C9 (0.65) | CYP2C9KCNH2ALDH1A1KCNE1CCR1 | |
| SCHEMBL2207621 | 0.87 | CYP2C9 (0.65) | CYP2C9KCNH2ALDH1A1KCNE1CCR1 | |
| SCHEMBL2206881 | 0.87 | CYP2C9 (0.56) | CYP2C9KCNH2ALDH1A1KCNE1CCR1 | |
| SCHEMBL2204197 | 0.86 | CYP2C9 (0.69) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL12245782 | 0.86 | CYP2C9 (0.63) | CYP2C9KCNH2KCNE1CCR1KCNQ1 | |
| SCHEMBL2209973 | 0.84 | CYP2C9 (0.61) | CYP2C9KCNH2ALDH1A1KCNE1CCR1 | |
| SCHEMBL2204999 | 0.84 | CYP2C9 (0.74) | CYP2C9KCNH2ALDH1A1KCNE1CCR1 | |
| SCHEMBL2204185 | 0.83 | KCNH2 (0.68) | CYP2C9KCNH2KCNE1CCR1KCNQ1 |
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-1866313-A1 | HIV INTEGRASE INHIBITORS | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2007-12-19 | — | — | EP | claimed |
| WO-2006103399-A1 | HIV INTEGRASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) | 2006-10-05 | — | — | WO | claimed |