Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.51 |
| ▸ | CCR8 | P51685 | 2/20 | 0.51 |
| ▸ | NSD2 | O96028 | 1/20 | 0.47 |
| ▸ | CASP6 | P55212 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.44 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15703117 | 0.87 | MEN1 (0.50) | CCR1CCR8NSD2CASP6HTT | |
| SCHEMBL620812 | 0.87 | KDM4E (0.57) | NSD2CASP6NQO2HTTHSP90AA1 | |
| SCHEMBL12020186 | 0.83 | CCR1 (0.50) | CCR1CCR8NSD2CASP6NQO2 | |
| SCHEMBL6479505 | 0.80 | CCR1 (0.41) | CCR1CCR8NSD2CASP6HTT | |
| SCHEMBL13255406 | 0.79 | NQO2 (0.43) | NSD2CASP6NQO2HTTHSP90AA1 | |
| SCHEMBL23233126 | 0.78 | KDM4E (0.51) | NSD2CASP6HTTHSP90AA1L3MBTL1 | |
| SCHEMBL10156261 | 0.77 | NSD2 (0.41) | NSD2CASP6NQO2HTTHSP90AA1 | |
| SCHEMBL23212200 | 0.77 | KDM4E (0.57) | NSD2CASP6PSMD14L3MBTL1MEN1 | |
| SCHEMBL10156259 | 0.77 | KDM4E (0.43) | NSD2CASP6NQO2HTTHSP90AA1 | |
| Tilbroquinol SCHEMBL1441958 | 0.77 | KDM4E (0.72) | CCR1CCR8HTTPSMD14COPS5 |
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 |
|---|---|---|---|---|---|---|---|
| US-7759372-B2 | Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2010-07-20 | — | — | US | disclosed |
| US-7759372-B2 | Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2010-07-20 | — | — | US | disclosed |
| EP-2033952-A1 | Nitrogen-containing Heteroaryl compounds having HIV Integrase Inhibitory Activity | Shionogi&Co., Ltd. (JP) | 2009-03-11 | — | — | EP | disclosed |