Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | P2RY12 | Q9H244 | 3/20 | 0.41 |
| ▸ | NMT2 | O60551 | 1/20 | 0.40 |
| ▸ | NMT1 | P30419 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13255521 | 0.93 | L3MBTL1 (0.43) | L3MBTL1NPSR1MEN1KMT2AGPR55 | |
| SCHEMBL13255519 | 0.89 | L3MBTL1 (0.44) | L3MBTL1NPSR1MEN1KMT2AGPR55 | |
| SCHEMBL13255494 | 0.85 | KDM4E (0.40) | L3MBTL1NPSR1MEN1KMT2AGAA | |
| SCHEMBL13255488 | 0.84 | KMT2A (0.39) | L3MBTL1NPSR1MEN1KMT2AGAA | |
| SCHEMBL13850758 | 0.84 | HPGD (0.44) | NPSR1GAAKDM4EALDH1A1HSD17B10 | |
| SCHEMBL13255522 | 0.81 | XDH (0.40) | L3MBTL1NPSR1MEN1KMT2AGPR55 | |
| SCHEMBL13255419 | 0.81 | MEN1 (0.41) | L3MBTL1NPSR1MEN1KMT2AGAA | |
| SCHEMBL13255533 | 0.79 | PDE3B (0.46) | L3MBTL1NPSR1MEN1KMT2AGPR55 | |
| SCHEMBL13255515 | 0.78 | MEN1 (0.40) | L3MBTL1NPSR1MEN1KMT2AGAA | |
| SCHEMBL13283087 | 0.78 | NOS3 (0.34) | — |
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 1 patent. 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 |