Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3046734 | 0.89 | KDM4E (0.48) | ALDH1A1KDM4ELMNARAB9ANPC1 | |
| SCHEMBL845176 | 0.82 | CYP2C9 (0.43) | ALDH1A1NPC1PABPC1CYP2C9CYP2C19 | |
| SCHEMBL845300 | 0.78 | CYP2C9 (0.54) | ALDH1A1PABPC1CYP2C9CYP2C19MAPK1 | |
| SCHEMBL13272391 | 0.78 | ALDH1A1 (0.53) | ALDH1A1KDM4ELMNAPABPC1HSD17B10 | |
| SCHEMBL845346 | 0.78 | ALDH1A1 (0.53) | ALDH1A1KDM4ELMNAPABPC1HSD17B10 | |
| SCHEMBL845048 | 0.78 | DGAT1 (0.50) | ALDH1A1KDM4ELMNARAB9ANPC1 | |
| SCHEMBL845226 | 0.77 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNAPABPC1HSD17B10 | |
| SCHEMBL15116912 | 0.77 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNAPABPC1HSD17B10 | |
| SCHEMBL845111 | 0.77 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNAPABPC1HSD17B10 | |
| SCHEMBL845205 | 0.77 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNAPABPC1HSD17B10 |
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 |