Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | CNR2 | P34972 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | SLC40A1 | Q9NP59 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL12020169 | 0.84 | MEN1 (0.41) | MEN1KMT2ANPC1RAB9ALMNA | |
| SCHEMBL13255393 | 0.80 | MEN1 (0.39) | MEN1KMT2ALMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL13255442 | 0.78 | MAPK14 (0.38) | MEN1KMT2ANPC1RAB9ALMNA | |
| SCHEMBL13255481 | 0.77 | SMN1; SMN2 (0.47) | MEN1KMT2ANPC1RAB9ACNR2 | |
| SCHEMBL14046438 | 0.75 | MEN1 (0.41) | MEN1KMT2ALMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL13255449 | 0.67 | MAPK14 (0.40) | MEN1KMT2ANPC1RAB9ALMNA | |
| SCHEMBL13255381 | 0.67 | MEN1 (0.36) | MEN1KMT2ALMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL4700675 | 0.66 | LMNA (0.52) | MEN1KMT2ANPC1RAB9ALMNA | |
| SCHEMBL14046419 | 0.66 | HDAC6 (0.35) | MEN1KMT2ANPC1RAB9ALMNA | |
| SCHEMBL13255373 | 0.65 | GPER1 (0.39) | MEN1KMT2ANPC1RAB9ACNR2 |
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-1375486-B1 | NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2008-10-15 | — | — | EP | disclosed |