Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 14/20 | 0.60 |
| ▸ | BRS3 | P32247 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13868377 | 0.90 | BRD4 (0.50) | BRD4BRS3ALDH1A1HPGDTSHR | |
| SCHEMBL13868376 | 0.83 | BRS3 (0.52) | BRD4BRS3ALDH1A1HPGDTSHR | |
| SCHEMBL3906448 | 0.79 | HTT (0.46) | BRD4BRS3 | |
| SCHEMBL21224119 | 0.78 | CACNA1G (0.56) | BRD4ALDH1A1HPGDTSHR | |
| SCHEMBL21224116 | 0.78 | CACNA1G (0.56) | BRD4ALDH1A1HPGDTSHR | |
| SCHEMBL13868382 | 0.73 | BRD4 (0.45) | BRD4BRS3ALDH1A1HPGDABCB1 | |
| SCHEMBL8572660 | 0.73 | KLK7 (0.40) | BRD4ALDH1A1HPGDTSHR | |
| SCHEMBL8572656 | 0.73 | KLK7 (0.40) | BRD4ALDH1A1HPGDTSHR | |
| SCHEMBL3914346 | 0.72 | HTT (0.54) | BRD4ALDH1A1 | |
| SCHEMBL22536521 | 0.71 | CACNA1G (0.49) | BRD4ALDH1A1HPGDTSHR |
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 |