Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | EGLN1 | Q9GZT9 | 6/20 | 0.53 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.50 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12020195 | 0.86 | ALDH1A1 (0.62) | KDM4EALDH1A1EGLN1MEN1KMT2A | |
| SCHEMBL14046288 | 0.85 | PARP1 (0.59) | KDM4EALDH1A1EGLN1MEN1KMT2A | |
| SCHEMBL8139304 | 0.83 | KDM4E (0.56) | KDM4EALDH1A1EGLN1SLC40A1MAP2K1 | |
| SCHEMBL244112 | 0.83 | EGLN1 (0.68) | KDM4EALDH1A1EGLN1 | |
| SCHEMBL3502575 | 0.83 | KDM4E (0.56) | KDM4EALDH1A1EGLN1SLC40A1MAP2K1 | |
| SCHEMBL25985620 | 0.82 | KDM4E (0.55) | KDM4EALDH1A1EGLN1SLC40A1MAP2K1 | |
| SCHEMBL344528 | 0.81 | ALDH1A1 (0.65) | KDM4EALDH1A1EGLN1SLC40A1MAP2K1 | |
| SCHEMBL2718494 | 0.81 | SLC40A1 (0.47) | KDM4EALDH1A1EGLN1SLC40A1MAP2K1 | |
| SCHEMBL16131034 | 0.78 | SLC40A1 (0.53) | KDM4EALDH1A1EGLN1SLC40A1MAP2K1 | |
| SCHEMBL13858084 | 0.77 | KDM4E (0.51) | KDM4EALDH1A1EGLN1SLC40A1POLB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2033952-B1 | Nitrogen-containing Heteroaryl compounds having HIV Integrase Inhibitory Activity | SHIONOGI & CO (JP) | 2012-08-29 | — | — | EP | disclosed |
| 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 |