Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | NMT1 | P30419 | 2/20 | 0.43 |
| ▸ | NMT2 | O60551 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13427742 | 1.00 | NR1H4 (0.59) | NR1H4ALDH1A1P4HTMLMNAL3MBTL1 | |
| SCHEMBL5736793 | 0.89 | NR1H4 (0.58) | NR1H4ALDH1A1P4HTMLMNAL3MBTL1 | |
| SCHEMBL5736788 | 0.89 | NR1H4 (0.58) | NR1H4ALDH1A1P4HTMLMNAL3MBTL1 | |
| SCHEMBL1562632 | 0.89 | NR1H4 (0.47) | NR1H4ALDH1A1P4HTMMEN1KMT2A | |
| SCHEMBL13754900 | 0.89 | NR1H4 (0.47) | NR1H4ALDH1A1P4HTMMEN1KMT2A | |
| SCHEMBL1564308 | 0.88 | NR1H4 (0.46) | NR1H4ALDH1A1MEN1KMT2AMAOB | |
| SCHEMBL13754859 | 0.88 | NR1H4 (0.46) | NR1H4ALDH1A1MEN1KMT2AMAOB | |
| SCHEMBL13754898 | 0.87 | MAOB (0.51) | NR1H4ALDH1A1MAOBALOX5 | |
| SCHEMBL1563358 | 0.87 | MAOB (0.51) | NR1H4ALDH1A1MAOBALOX5 | |
| SCHEMBL753939 | 0.85 | NPC1 (0.46) | NR1H4ALDH1A1LMNAL3MBTL1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1219607-B1 | INTEGRASE INHIBITORS CONTAINING AROMATIC HETEROCYCLE DERIVATIVES | SHIONOGI & CO (JP) | 2011-04-06 | — | — | EP | disclosed |
| US-7576198-B1 | Integrase inhibitors containing aromatic heterocycle derivatives | SHIONOGI & CO., LTD. (JP) | 2009-08-18 | — | — | US | disclosed |
| EP-1219607-A1 | INTEGRASE INHIBITORS CONTAINING AROMATIC HETEROCYCLE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2002-07-03 | — | — | EP | disclosed |