Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 10/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | MMP10 | P09238 | 5/20 | 0.35 |
| ▸ | MMP8 | P22894 | 5/20 | 0.35 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | WDR5 | P61964 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9905123 | 0.93 | CYP2C9 (0.43) | CYP2C9MMP13KCNH2MMP10MMP8 | |
| SCHEMBL9901013 | 0.93 | CYP2C9 (0.43) | CYP2C9MMP13KCNH2MMP10MMP8 | |
| SCHEMBL9942952 | 0.93 | CYP2C9 (0.43) | CYP2C9MMP13KCNH2MMP10MMP8 | |
| SCHEMBL9905163 | 0.91 | CYP2C9 (0.42) | CYP2C9MMP13KCNH2MMP10MMP8 | |
| SCHEMBL9905194 | 0.91 | CYP2C9 (0.41) | CYP2C9MMP13KCNH2MMP10MMP8 | |
| SCHEMBL9901158 | 0.90 | CYP2C9 (0.44) | CYP2C9MMP13KCNH2MMP10MMP8 | |
| SCHEMBL9943015 | 0.90 | CYP2C9 (0.44) | CYP2C9MMP13KCNH2MMP10MMP8 | |
| SCHEMBL14234672 | 0.90 | CYP2C9 (0.53) | CYP2C9KCNH2SCDKCNE1CCR1 | |
| SCHEMBL9943088 | 0.90 | CYP2C9 (0.46) | CYP2C9MMP13KCNH2MMP10MMP8 | |
| SCHEMBL14212654 | 0.90 | CYP2C9 (0.41) | CYP2C9MMP13KCNH2MMP10MMP8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012078834-A1 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-14 | — | — | WO | disclosed |