Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.45 |
| ▸ | ITGB1 | P05556 | 7/20 | 0.45 |
| ▸ | ITGA4 | P13612 | 7/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PFKFB2 | O60825 | 1/20 | 0.44 |
| ▸ | PFKFB1 | P16118 | 1/20 | 0.44 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL845111 | 0.90 | ALDH1A1 (0.56) | ALDH1A1HCRTR1HCRTR2ITGB1ITGA4 | |
| SCHEMBL13272444 | 0.90 | ALDH1A1 (0.56) | ALDH1A1HCRTR1HCRTR2ITGB1ITGA4 | |
| SCHEMBL1030175 | 0.90 | ALDH1A1 (0.56) | ALDH1A1HCRTR1HCRTR2ITGB1ITGA4 | |
| SCHEMBL845205 | 0.90 | ALDH1A1 (0.56) | ALDH1A1HCRTR1HCRTR2ITGB1ITGA4 | |
| SCHEMBL15116912 | 0.90 | ALDH1A1 (0.56) | ALDH1A1HCRTR1HCRTR2ITGB1ITGA4 | |
| SCHEMBL845226 | 0.90 | ALDH1A1 (0.56) | ALDH1A1HCRTR1HCRTR2ITGB1ITGA4 | |
| SCHEMBL872535 | 0.88 | KDM4E (0.46) | ALDH1A1KDM4ELMNAHSD17B10PFKFB2 | |
| SCHEMBL845160 | 0.86 | HSD11B1 (0.53) | ALDH1A1HCRTR1HCRTR2ITGB1ITGA4 | |
| SCHEMBL845171 | 0.86 | ALDH1A1 (0.53) | ALDH1A1HCRTR1HCRTR2ITGB1ITGA4 | |
| SCHEMBL871785 | 0.86 | HCRTR1 (0.43) | ALDH1A1HCRTR1HCRTR2KDM4ELMNA |
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 |