Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27748668 | 0.87 | POLB (0.36) | ALDH1A1CYP1A2HPGDHSD17B10HTT | |
| SCHEMBL27872987 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL27719750 | 0.75 | ALDH1A1 (0.40) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL4404136 | 0.73 | ALDH1A1 (0.45) | ALDH1A1CYP1A2HPGDHSD17B10HTT | |
| SCHEMBL27770010 | 0.72 | ALDH1A1 (0.32) | ALDH1A1CYP1A2MAPT | |
| SCHEMBL27748630 | 0.72 | ALDH1A1 (0.38) | ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL2444986 | 0.70 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL1552396 | 0.68 | ALDH1A1 (0.69) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL27699407 | 0.68 | ALDH1A1 (0.33) | ALDH1A1HPGD | |
| SCHEMBL25328666 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101472902-A | Novel piperazine compounds and their use as HCV polymerase inhibitors | JAPAN TOBACCO INC (JP) | 2009-07-01 | — | — | CN | disclosed |