Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | REN | P00797 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL875152 | 0.92 | ALDH1A1 (0.41) | ALDH1A1HSD17B10NPSR1GAAMAPK1 | |
| SCHEMBL845682 | 0.86 | ALDH1A1 (0.54) | ALDH1A1HSD17B10GAAMAPK1LMNA | |
| SCHEMBL845337 | 0.82 | GAA (0.45) | ALDH1A1GAAMAPK1LMNACYP2C9 | |
| SCHEMBL845371 | 0.82 | ALDH1A1 (0.52) | ALDH1A1HSD17B10GAAMAPK1LMNA | |
| SCHEMBL845350 | 0.81 | MAPK1 (0.49) | ALDH1A1GAAMAPK1LMNACYP2C9 | |
| SCHEMBL13272423 | 0.81 | GAA (0.43) | ALDH1A1GAAMAPK1LMNACYP2C9 | |
| SCHEMBL13272385 | 0.81 | ALDH1A1 (0.33) | ALDH1A1HSD17B10NPSR1GAAREN | |
| SCHEMBL845027 | 0.80 | ALDH1A1 (0.48) | ALDH1A1HSD17B10GAALMNACYP2C9 | |
| SCHEMBL874311 | 0.79 | ALDH1A1 (0.47) | ALDH1A1HSD17B10LMNACYP2C9CYP2C19 | |
| SCHEMBL845182 | 0.79 | HSD17B10 (0.57) | ALDH1A1HSD17B10MAPK1LMNACYP2C9 |
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 |
| EP-1893573-B1 | INHIBITORS OF HCV REPLICATION | BRISTOL MYERS SQUIBB CO (US) | 2010-07-21 | — | — | EP | disclosed |