Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | MYLK | Q15746 | 3/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 8/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.54 |
| ▸ | PRKCD | Q05655 | 4/20 | 0.54 |
| ▸ | PRKCE | Q02156 | 3/20 | 0.54 |
| ▸ | PRKD1 | Q15139 | 3/20 | 0.54 |
| ▸ | PRKX | P51817 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | GMNN | O75496 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7802377 | 0.87 | CYP3A4 (0.55) | CYP3A4CYP2D6MYLKNFKB1CYP1A2 | |
| Hydrochloric Acid SCHEMBL6977023 | 0.86 | LMNA (0.56) | CYP3A4CYP2D6MYLKNFKB1CYP1A2 | |
| SCHEMBL7811531 | 0.82 | PRKCD (0.44) | CYP3A4CYP2D6NFKB1CYP1A2CYP2C9 | |
| SCHEMBL7810942 | 0.82 | CYP3A4 (0.53) | CYP3A4CYP2D6MYLKNFKB1CYP1A2 | |
| SCHEMBL23795345 | 0.81 | ROCK1 (0.51) | CYP3A4CYP2D6MYLKNFKB1CYP1A2 | |
| SCHEMBL23795344 | 0.81 | ROCK1 (0.51) | CYP3A4CYP2D6MYLKNFKB1CYP1A2 | |
| SCHEMBL30439326 | 0.81 | ROCK1 (0.51) | CYP3A4CYP2D6MYLKNFKB1CYP1A2 | |
| SCHEMBL30439170 | 0.81 | ROCK1 (0.51) | CYP3A4CYP2D6MYLKNFKB1CYP1A2 | |
| Bromide SCHEMBL10613849 | 0.81 | CYP3A4 (0.57) | CYP3A4CYP2D6MYLKNFKB1CYP1A2 | |
| SCHEMBL23795376 | 0.81 | ROCK2 (0.68) | CYP3A4CYP2D6MYLKNFKB1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1074545-A1 | ISOQUINOLINESULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | Hidaka, Hiroyoshi (JP) | 2001-02-07 | — | — | EP | disclosed |