Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 5/20 | 0.45 |
| ▸ | BRS3 | P32247 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3904629 | 0.85 | HTT (0.47) | DRD2DRD4DRD3ALDH1A1POLB | |
| SCHEMBL14547790 | 0.80 | CACNA1G (0.45) | DRD2DRD4DRD3ALDH1A1CYP2C19 | |
| SCHEMBL2895538 | 0.74 | HTT (0.43) | DRD2DRD4DRD3ALDH1A1LMNA | |
| SCHEMBL3908131 | 0.70 | BRD4 (0.55) | BRD4ALDH1A1CYP2D6POLBCYP2C9 | |
| SCHEMBL27477427 | 0.70 | HPGD (0.49) | ALDH1A1CYP2D6POLBCYP2C9CYP2C19 | |
| SCHEMBL29157597 | 0.69 | HPGD (0.45) | ALDH1A1CYP2D6POLBCYP2C9CYP2C19 | |
| SCHEMBL13868376 | 0.69 | BRS3 (0.52) | BRD4BRS3ALDH1A1ACETSHR | |
| SCHEMBL5807696 | 0.69 | CACNA1G (0.45) | DRD2DRD4DRD3BRD4BRS3 | |
| Acetic Acid SCHEMBL28332665 | 0.68 | CYP2D6 (0.49) | BRD4ALDH1A1CYP2D6POLBCYP2C9 | |
| SCHEMBL13868378 | 0.68 | BRD4 (0.60) | BRD4BRS3ALDH1A1TSHRHPGD |
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-7517532-B2 | Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-04-14 | — | — | US | disclosed |