Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CALCA | P06881 | 4/20 | 0.33 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | SPR | P35270 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3836886 | 0.99 | KCNH2 (0.44) | KCNH2CYP2C9CALCAKCNE1CCR1 | |
| SCHEMBL3836875 | 0.95 | KCNH2 (0.47) | KCNH2CYP2C9CALCAKCNE1CCR1 | |
| SCHEMBL3836220 | 0.95 | KCNH2 (0.42) | KCNH2CYP2C9KCNE1CCR1KCNQ1 | |
| SCHEMBL3840946 | 0.92 | KCNH2 (0.40) | KCNH2CYP2C9CALCAKCNE1CCR1 | |
| SCHEMBL14064655 | 0.91 | KCNH2 (0.40) | KCNH2CYP2C9CALCAKCNE1CCR1 | |
| SCHEMBL3836803 | 0.91 | KCNH2 (0.41) | KCNH2CYP2C9CALCAKCNE1CCR1 | |
| SCHEMBL5013159 | 0.90 | KCNH2 (0.43) | KCNH2CYP2C9CALCAKCNE1CCR1 | |
| SCHEMBL5011960 | 0.89 | KCNH2 (0.42) | KCNH2CYP2C9CALCAKCNE1CCR1 | |
| SCHEMBL12778189 | 0.88 | KCNH2 (0.38) | KCNH2CYP2C9CALCAKCNE1CCR1 | |
| SCHEMBL5620315 | 0.88 | KCNH2 (0.42) | KCNH2CYP2C9CALCAKCNE1CCR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1745052-B9 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2009-10-28 | — | — | EP | disclosed |
| EP-1745052-B1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2008-08-20 | — | — | EP | disclosed |
| US-7273859-B2 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-25 | — | — | US | disclosed |
| US-7273859-B2 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-25 | — | — | US | disclosed |