Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CCR1 | P32246 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 2/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL844894 | 0.91 | CYP2C19 (0.55) | CYP2C9CYP2C19ALDH1A1LMNAPOLB | |
| SCHEMBL845202 | 0.86 | CYP2C19 (0.48) | CYP2C9CYP2C19ALDH1A1LMNAPOLB | |
| SCHEMBL845488 | 0.86 | CYP2C19 (0.48) | CYP2C9CYP2C19ALDH1A1LMNAPOLB | |
| SCHEMBL845759 | 0.86 | CYP2C19 (0.48) | CYP2C9CYP2C19ALDH1A1LMNAPOLB | |
| SCHEMBL845774 | 0.84 | CYP2C19 (0.49) | CYP2C9CYP2C19ALDH1A1LMNAPOLB | |
| SCHEMBL844890 | 0.80 | KCNH2 (0.51) | CYP2C9CYP2C19ALDH1A1LMNAPOLB | |
| SCHEMBL845203 | 0.79 | CCR1 (0.47) | CYP2C9CYP2C19CCR1ALDH1A1LMNA | |
| SCHEMBL844902 | 0.77 | ALDH1A1 (0.47) | CYP2C9CYP2C19CCR1ALDH1A1LMNA | |
| SCHEMBL845245 | 0.77 | PTPN1 (0.50) | CYP2C9CYP2C19ALDH1A1LMNAPOLB | |
| SCHEMBL845258 | 0.76 | MAPK1 (0.60) | CYP2C9CYP2C19ALDH1A1LMNAPOLB |
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-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |