Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | KCNK3 | O14649 | 3/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.32 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.31 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 2/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.31 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.30 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.30 |
| ▸ | CCR1 | P32246 | 1/20 | 0.30 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5532198 | 0.89 | CYP2C9 (0.36) | CYP2C9KCNH2KCNK3SLC22A2CYP3A4 | |
| SCHEMBL14510810 | 0.87 | CYP2C9 (0.35) | CYP2C9KCNH2KCNK3EGLN1DDR1 | |
| SCHEMBL5536690 | 0.87 | CYP2C9 (0.40) | CYP2C9KCNH2KCNK3SLC22A2CYP3A4 | |
| SCHEMBL2524286 | 0.87 | CYP2C9 (0.35) | CYP2C9KCNH2KCNK3EGLN1DDR1 | |
| SCHEMBL4826941 | 0.86 | CYP2C9 (0.34) | CYP2C9KCNH2KCNK3EGLN1HCRTR1 | |
| SCHEMBL2529047 | 0.86 | CYP2C9 (0.35) | CYP2C9KCNH2KCNK3EGLN1CNR1 | |
| SCHEMBL2530121 | 0.86 | CYP2C9 (0.35) | CYP2C9KCNH2KCNK3EGLN1CNR1 | |
| SCHEMBL4825040 | 0.85 | CYP2C9 (0.35) | CYP2C9KCNH2KCNK3HCRTR1 | |
| SCHEMBL4830966 | 0.85 | CYP2C9 (0.35) | CYP2C9KCNH2KCNK3HCRTR1 | |
| SCHEMBL2527447 | 0.84 | CYP2C9 (0.35) | CYP2C9KCNH2KCNK3EGLN1CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1948666-A1 | HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2008-07-30 | — | — | EP | claimed |
| WO-2007061714-A1 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | claimed |