Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.41 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23075813 | 0.84 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL6747066 | 0.82 | KMT2A (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL3926325 | 0.80 | SLC6A2 (0.54) | CYP3A4KMT2ACHRM2MEN1 | |
| SCHEMBL22039743 | 0.78 | CYP3A4 (0.61) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL16741451 | 0.77 | RAB9A (0.44) | ALDH1A1 | |
| SCHEMBL1796909 | 0.76 | LMNA (0.77) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL184001 | 0.76 | LMNA (0.77) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| Hydrochloric Acid SCHEMBL5378426 | 0.76 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL4029852 | 0.74 | LMNA (0.62) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL31263218 | 0.74 | ALKBH5 (0.40) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7517532-B2 | Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-04-14 | — | — | US | disclosed |
| US-7517532-B2 | Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-04-14 | — | — | US | disclosed |