Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.42 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.41 |
| ▸ | CALCA | P06881 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1751096 | 0.97 | CYP2C9 (0.65) | KCNH2CYP2C9MAPTKCNE1CCR1 | |
| SCHEMBL1750285 | 0.95 | KCNH2 (0.68) | KCNH2CYP2C9MAPTKCNE1CCR1 | |
| SCHEMBL1750177 | 0.93 | CYP2C9 (0.70) | KCNH2CYP2C9MAPTKCNE1CCR1 | |
| SCHEMBL1749661 | 0.83 | KCNH2 (0.66) | KCNH2CYP2C9MAPTKCNE1CCR1 | |
| SCHEMBL1376257 | 0.83 | KCNH2 (0.66) | KCNH2CYP2C9MAPTKCNE1CCR1 | |
| SCHEMBL13691568 | 0.82 | KCNH2 (0.63) | KCNH2CYP2C9MAPTKCNE1CCR1 | |
| SCHEMBL13421595 | 0.82 | KCNH2 (0.56) | KCNH2CYP2C9MAPTKCNE1CCR1 | |
| SCHEMBL2205355 | 0.82 | KCNH2 (0.56) | KCNH2CYP2C9MAPTKCNE1CCR1 | |
| SCHEMBL1375999 | 0.82 | CYP2C9 (0.65) | KCNH2CYP2C9MAPTKCNE1CCR1 | |
| SCHEMBL1378091 | 0.82 | KCNH2 (0.81) | KCNH2CYP2C9MAPTKCNE1CCR1 |
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-1937678-B1 | HIV INTEGRASE INHIBITORS | ANGELETTI P IST RICHERCHE BIO (IT) | 2011-07-27 | — | — | EP | disclosed |
| US-7939537-B2 | HIV integrase inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2011-05-10 | — | — | US | disclosed |