Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 4/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | VEGFA | P15692 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22477646 | 0.76 | TRPA1 (0.40) | TRPA1KDM4EGLA | |
| SCHEMBL20203369 | 0.66 | BRD9 (0.35) | TRPA1KDM4EGLA | |
| SCHEMBL21363432 | 0.66 | TRPA1 (0.33) | TRPA1KDM4EGLA | |
| SCHEMBL4896448 | 0.66 | CDK4 (0.55) | RAD52 | |
| SCHEMBL7052509 | 0.64 | CDK4 (0.57) | RAD52 | |
| SCHEMBL18914239 | 0.61 | PLD1 (0.51) | DRD2DRD3POLB | |
| SCHEMBL6189810 | 0.60 | TDP1 (0.58) | DRD2DRD3 | |
| SCHEMBL4828100 | 0.60 | CDK4 (0.57) | RAD52 | |
| SCHEMBL10067477 | 0.59 | CYP1A2 (0.61) | CA1CA2POLBRAD52KDM4E | |
| SCHEMBL21367815 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1549315-A4 | DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2007-05-23 | — | — | EP | claimed |
| EP-1549315-A2 | DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2005-07-06 | — | — | EP | claimed |
| WO-2004024078-A2 | DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2004-03-25 | — | — | WO | claimed |