Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.62 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.53 |
| ▸ | MMP13 | P45452 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MMP2 | P08253 | 1/20 | 0.53 |
| ▸ | STAT3 | P40763 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.52 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.52 |
| ▸ | NAMPT | P43490 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | PRKACA | P17612 | 1/20 | 0.48 |
| ▸ | GSK3A | P49840 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | PRKX | P51817 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27931792 | 0.84 | ROCK2 (0.47) | ROCK2ROCK1GAAMAPK14MMP13 | |
| SCHEMBL27913707 | 0.83 | ROCK2 (0.87) | ROCK2ROCK1CYP3A4MAPK14MMP13 | |
| SCHEMBL2715710 | 0.83 | SCN10A (0.46) | ROCK2ROCK1GAAMAPK14SMN1; SMN2 | |
| SCHEMBL27931800 | 0.82 | EPHX2 (0.70) | ROCK2ROCK1CYP3A4MAPK14MMP13 | |
| SCHEMBL2717026 | 0.81 | SCN10A (0.45) | ROCK2ROCK1GAACYP3A4MAPK14 | |
| SCHEMBL2715265 | 0.81 | SCN9A (0.49) | ROCK2ROCK1MAPK14SMN1; SMN2EPHX2 | |
| SCHEMBL2715787 | 0.80 | GSK3B (0.54) | GSK3AGSK3B | |
| SCHEMBL27220658 | 0.79 | EPHX2 (0.61) | ROCK2ROCK1GAACYP3A4MAPK14 | |
| SCHEMBL27931720 | 0.79 | ROCK2 (0.56) | ROCK2ROCK1GAACYP3A4MAPK14 | |
| SCHEMBL2718118 | 0.77 | RIPK1 (0.46) | ROCK2ROCK1MAPK14EPHX2NR1H4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103249721-A | Arylamine Derivatives as TTX-S Blockers | RAQUALIA PHARMA INC | 2013-08-14 | — | — | CN | claimed |
| CN-103249721-A | Arylamine Derivatives as TTX-S Blockers | RAQUALIA PHARMA INC | 2013-08-14 | — | — | CN | disclosed |