Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | EP300 | Q09472 | 2/20 | 0.53 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | RHOC | P08134 | 1/20 | 0.46 |
| ▸ | RHOA | P61586 | 1/20 | 0.46 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL844899 | 0.85 | NPC1 (0.52) | NPC1EP300CREBBPHTTCYP2C9 | |
| SCHEMBL845452 | 0.85 | F2 (0.52) | NPC1EP300CREBBPHTTCYP2C9 | |
| SCHEMBL10299164 | 0.84 | NPC1 (0.76) | NPC1EP300CREBBPHTTCYP2C9 | |
| SCHEMBL10281278 | 0.84 | NPC1 (0.76) | NPC1EP300CREBBPHTTCYP2C9 | |
| SCHEMBL845227 | 0.84 | NPC1 (0.76) | NPC1EP300CREBBPHTTCYP2C9 | |
| SCHEMBL845258 | 0.84 | MAPK1 (0.60) | NPC1EP300CREBBPHTTCYP2C9 | |
| SCHEMBL845774 | 0.82 | CYP2C19 (0.49) | NPC1EP300CREBBPHTTCYP2C9 | |
| SCHEMBL845251 | 0.82 | PABPC1 (0.50) | NPC1EP300CREBBPHTTCYP2C9 | |
| SCHEMBL844894 | 0.82 | CYP2C19 (0.55) | NPC1HTTCYP2C9CYP2C19MEN1 | |
| SCHEMBL844890 | 0.82 | KCNH2 (0.51) | NPC1HTTCYP2C9CYP2C19MEN1 |
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 |