Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CD4 | P01730 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3928664 | 0.86 | GFER (0.69) | PKMHTTALDH1A1POLBCD4 | |
| SCHEMBL651924 | 0.78 | MAPT (0.69) | PKMHTTALDH1A1POLBMEN1 | |
| SCHEMBL5955341 | 0.78 | MAPT (0.69) | PKMHTTALDH1A1POLBMEN1 | |
| SCHEMBL2448500 | 0.78 | PKM (0.70) | PKMHTTALDH1A1POLBMEN1 | |
| SCHEMBL9122576 | 0.78 | MAPT (0.69) | PKMHTTALDH1A1POLBMEN1 | |
| SCHEMBL4109280 | 0.78 | CD4 (0.60) | PKMHTTALDH1A1POLBCD4 | |
| Hydrochloric Acid SCHEMBL3244036 | 0.77 | ALDH1A1 (0.67) | PKMHTTALDH1A1POLBMEN1 | |
| SCHEMBL3419433 | 0.77 | MAPT (0.67) | PKMHTTALDH1A1POLBMEN1 | |
| SCHEMBL13548367 | 0.77 | PKM (0.66) | PKMHTTALDH1A1POLBCD4 | |
| SCHEMBL3977980 | 0.77 | PKM (0.71) | PKMHTTALDH1A1POLBMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009064959-A1 | ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-05-22 | — | — | WO | disclosed |