Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | DHODH | Q02127 | 3/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | KHK | P50053 | 1/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.37 |
| ▸ | PFKFB2 | O60825 | 1/20 | 0.37 |
| ▸ | PFKFB1 | P16118 | 1/20 | 0.37 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.36 |
| ▸ | FLT3 | P36888 | 2/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL845640 | 0.92 | ALDH1A1 (0.49) | ALDH1A1TSHRNPSR1GAAROCK2 | |
| SCHEMBL10119326 | 0.91 | EP300 (0.41) | ALDH1A1SCN9AROCK2SCN3APDGFRB | |
| SCHEMBL10119342 | 0.88 | ALDH1A1 (0.45) | ALDH1A1TSHRNPSR1GAAHCRTR1 | |
| SCHEMBL845114 | 0.83 | EP300 (0.46) | ALDH1A1 | |
| SCHEMBL845841 | 0.82 | TRPV1 (0.45) | ALDH1A1ROCK2HCRTR1HCRTR2 | |
| SCHEMBL13272509 | 0.82 | TRPV1 (0.45) | ALDH1A1ROCK2HCRTR1HCRTR2 | |
| SCHEMBL10119551 | 0.82 | DHODH (0.40) | ALDH1A1GAADHODHSCN9AROCK2 | |
| SCHEMBL845374 | 0.81 | PABPC1 (0.51) | ALDH1A1TSHRNPSR1GAAROCK2 | |
| SCHEMBL872415 | 0.81 | PABPC1 (0.38) | ALDH1A1GAASCN9AROCK2SCN3A | |
| SCHEMBL871971 | 0.81 | PDE5A (0.42) | GAASCN9AROCK2SCN3AHCRTR1 |
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 |