Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 2/20 | 0.40 |
| ▸ | KCNB1 | Q14721 | 2/20 | 0.40 |
| ▸ | ACACB | O00763 | 5/20 | 0.38 |
| ▸ | PDE2A | O00408 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 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 | |
|---|---|---|---|---|
| SCHEMBL2716024 | 0.95 | ACACB (0.43) | IDH1KCNB1ACACBPDE2A | |
| SCHEMBL18266671 | 0.90 | ACACB (0.38) | IDH1KCNB1ACACBPDE2AJAK1 | |
| SCHEMBL2718552 | 0.88 | ACACB (0.43) | KCNB1ACACB | |
| SCHEMBL2715541 | 0.85 | ACACB (0.43) | IDH1KCNB1ACACBPDE2ACYP3A4 | |
| SCHEMBL2717025 | 0.84 | ACACB (0.40) | IDH1KCNB1ACACBPDE2A | |
| SCHEMBL18266576 | 0.84 | GSK3B (0.48) | ACACB | |
| SCHEMBL18266686 | 0.84 | ACACB (0.41) | ACACBABL1 | |
| SCHEMBL2718587 | 0.84 | ACACB (0.43) | ACACBJAK1ABL1 | |
| SCHEMBL18266756 | 0.83 | ABL1 (0.43) | IDH1ACACBPDE2AJAK1ABL1 | |
| SCHEMBL2713163 | 0.82 | ACACB (0.41) | ACACBABL1 |
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 |