Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TACR3 | P29371 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1536289 | 0.74 | POLB (0.45) | POLBCYP1A2ALDH1A1CYP2C19KDM4E | |
| SCHEMBL31496254 | 0.74 | POLB (0.45) | POLBCYP1A2ALDH1A1CYP2C19KDM4E | |
| SCHEMBL30389934 | 0.73 | POLB (0.42) | POLBCYP1A2ALDH1A1CYP2C19KDM4E | |
| SCHEMBL13443806 | 0.73 | BTK (0.49) | BTKCYP1A2ALDH1A1CYP2C19KDM4E | |
| SCHEMBL4266314 | 0.73 | KDM4E (0.53) | BTKPOLBCYP1A2ALDH1A1CYP2C19 | |
| SCHEMBL8272283 | 0.72 | SQOR (0.60) | BTKCYP1A2ALDH1A1KDM4EHPGD | |
| SCHEMBL18687685 | 0.72 | BTK (0.48) | BTKPOLBCYP1A2ALDH1A1CYP2C19 | |
| SCHEMBL161865 | 0.72 | BTK (0.48) | BTKPOLBCYP1A2ALDH1A1CYP2C19 | |
| SCHEMBL5656369 | 0.72 | BTK (0.48) | BTKPOLBCYP1A2ALDH1A1CYP2C19 | |
| SCHEMBL13443916 | 0.72 | BTK (0.48) | BTKPOLBCYP1A2ALDH1A1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2431379-A2 | HCV inhibitors | Virobay, Inc. (US) | 2012-03-21 | — | — | EP | disclosed |