Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | 0.88 | CYP2C19 (0.55) | KCNH2CYP2C19CYP2C9NPC1ALDH1A1 | |
| SCHEMBL845599 | 0.87 | RHOC (0.43) | KCNH2CYP2C19CYP2C9NPC1ALDH1A1 | |
| SCHEMBL845488 | 0.86 | CYP2C19 (0.48) | KCNH2CYP2C19CYP2C9NPC1ALDH1A1 | |
| SCHEMBL845202 | 0.86 | CYP2C19 (0.48) | KCNH2CYP2C19CYP2C9NPC1ALDH1A1 | |
| SCHEMBL845759 | 0.86 | CYP2C19 (0.48) | KCNH2CYP2C19CYP2C9NPC1ALDH1A1 | |
| SCHEMBL845461 | 0.85 | PREP (0.44) | KCNH2CYP2C19CYP2C9NPC1LMNA | |
| SCHEMBL845774 | 0.85 | CYP2C19 (0.49) | CYP2C19CYP2C9NPC1ALDH1A1HTT | |
| SCHEMBL844977 | 0.84 | MAPK1 (0.50) | KCNH2CYP2C19CYP2C9ALDH1A1HTT | |
| SCHEMBL845245 | 0.84 | PTPN1 (0.50) | KCNH2CYP2C19CYP2C9NPC1ALDH1A1 | |
| SCHEMBL845258 | 0.84 | MAPK1 (0.60) | KCNH2CYP2C19CYP2C9NPC1ALDH1A1 |
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 |