Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 8/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.39 |
| ▸ | PDE2A | O00408 | 2/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2715623 | 0.91 | IDH1 (0.50) | RORCIDH1AAK1PDE2AROCK2 | |
| SCHEMBL18266250 | 0.89 | AAK1 (0.38) | RORCIDH1AAK1PDE2AROCK2 | |
| SCHEMBL18266233 | 0.89 | TYK2 (0.41) | IDH1AAK1PDE2AGSK3AGSK3B | |
| SCHEMBL18266228 | 0.88 | GSK3A (0.39) | AAK1PDE2AROCK2BRAFHTT | |
| SCHEMBL18266427 | 0.86 | RORC (0.39) | RORCIDH1PDE2ASCN9A | |
| SCHEMBL2714816 | 0.83 | IDH1 (0.50) | IDH1AAK1PDE2AGSK3AGSK3B | |
| SCHEMBL2716495 | 0.82 | IDH1 (0.50) | IDH1AAK1PDE2AGSK3AGSK3B | |
| SCHEMBL2715979 | 0.81 | ACACB (0.41) | IDH1 | |
| SCHEMBL2714580 | 0.80 | GSK3A (0.45) | IDH1AAK1PDE2AROCK2GSK3A | |
| SCHEMBL2714887 | 0.80 | IDH1 (0.49) | IDH1AAK1PDE2AGSK3AGSK3B |
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-2630122-B1 | ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC (JP) | 2016-11-30 | — | — | EP | disclosed |