Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | NQO2 | P16083 | 4/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | GALK1 | P51570 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10472303 | 0.92 | GAA (0.55) | GAAKDM4EPOLBNQO2ABL1 | |
| SCHEMBL6771563 | 0.90 | KDM4E (0.58) | GAAKDM4EPOLBNQO2ABL1 | |
| SCHEMBL6782175 | 0.87 | GAA (0.54) | GAAKDM4EPOLBNQO2ABL1 | |
| SCHEMBL22533721 | 0.85 | GAA (0.53) | GAAKDM4EPOLBNQO2ABL1 | |
| SCHEMBL7852188 | 0.85 | KDM4E (0.57) | GAAKDM4EPOLBNQO2ABL1 | |
| SCHEMBL7315145 | 0.84 | HSD17B10 (0.46) | GAAKDM4EPOLBNQO2HPGD | |
| SCHEMBL7416823 | 0.83 | GAA (0.47) | GAAKDM4EPOLBNQO2ABL1 | |
| SCHEMBL4256804 | 0.82 | GAA (0.49) | GAAKDM4EPOLBNQO2ABL1 | |
| SCHEMBL7413037 | 0.81 | GAA (0.54) | GAAKDM4EPOLBNQO2ABL1 | |
| SCHEMBL1115896 | 0.81 | GAA (0.48) | GAAKDM4EPOLBNQO2ABL1 |
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 4 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 |
| EP-1375486-B1 | NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2008-10-15 | — | — | EP | disclosed |