Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | BRS3 | P32247 | 1/20 | 0.40 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.39 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | AMPD2 | Q01433 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13868383 | 0.83 | BRD4 (0.45) | BRD4POLBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13868382 | 0.83 | BRD4 (0.45) | BRD4POLBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3914695 | 0.81 | HTT (0.44) | BRD4ATML3MBTL1MEN1KMT2A | |
| SCHEMBL3902825 | 0.74 | ALDH1A1 (0.44) | ALDH1A1GAAL3MBTL1MEN1KMT2A | |
| SCHEMBL2249900 | 0.73 | BRD4 (0.48) | BRD4POLBCYP2C9CYP2C19CACNA1G | |
| SCHEMBL3904597 | 0.73 | MEN1 (0.42) | POLBCYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL13868448 | 0.73 | MEN1 (0.42) | POLBCYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL3904433 | 0.71 | KMT2A (0.41) | GAAATMMEN1KMT2A | |
| SCHEMBL13868447 | 0.71 | KMT2A (0.41) | GAAATMMEN1KMT2A | |
| SCHEMBL13868376 | 0.69 | BRS3 (0.52) | BRD4BRS3CACNA1GCACNA1HCACNA1I |
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 |