Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | EP300 | Q09472 | 1/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL844961 | 0.89 | RHOC (0.43) | ALDH1A1CYP2C9CYP2C19NPC1PABPC1 | |
| SCHEMBL844967 | 0.88 | MAPK1 (0.50) | ALDH1A1CYP2C9CYP2C19PABPC1HTT | |
| SCHEMBL845251 | 0.87 | PABPC1 (0.50) | ALDH1A1CYP2C9CYP2C19NPC1PABPC1 | |
| SCHEMBL845253 | 0.85 | VHL (0.43) | ALDH1A1CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL13272388 | 0.85 | VHL (0.43) | ALDH1A1CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL845228 | 0.85 | HCRTR1 (0.49) | ALDH1A1CYP2C9CYP2C19NPC1PABPC1 | |
| SCHEMBL844899 | 0.85 | NPC1 (0.52) | ALDH1A1CYP2C9CYP2C19NPC1PABPC1 | |
| SCHEMBL845774 | 0.84 | CYP2C19 (0.49) | ALDH1A1CYP2C9CYP2C19NPC1PABPC1 | |
| SCHEMBL845203 | 0.84 | CCR1 (0.47) | ALDH1A1CYP2C9CYP2C19NPC1PABPC1 | |
| SCHEMBL845245 | 0.84 | PTPN1 (0.50) | ALDH1A1CYP2C9CYP2C19NPC1PABPC1 |
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 2 patents. 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 |
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |