Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 2/20 | 0.45 |
| ▸ | VNN1 | O95497 | 13/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | NNMT | P40261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL840255 | 0.85 | ACACB (0.46) | ACACBVNN1HDAC3HDAC1HDAC2 | |
| SCHEMBL13737548 | 0.74 | HCAR3 (0.52) | VNN1HDAC3HDAC1HDAC2 | |
| SCHEMBL13160092 | 0.74 | VNN1 (0.48) | ACACBVNN1HDAC3HDAC1HDAC2 | |
| SCHEMBL840192 | 0.74 | ACACB (0.41) | ACACBHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL27770902 | 0.72 | JAK3 (0.47) | VNN1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL3668875 | 0.72 | SCN9A (0.47) | HDAC6NNMT | |
| SCHEMBL2564257 | 0.71 | ALDH1A1 (0.62) | ACACBHDAC1HDAC6 | |
| SCHEMBL738119 | 0.71 | STAT6 (0.57) | VNN1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL30969276 | 0.71 | CCNA2 (0.51) | VNN1HDAC6 | |
| SCHEMBL4650847 | 0.70 | NNMT (0.41) | VNN1NNMT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2903965-A1 | N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS | Orion Corporation (FI) | 2015-08-12 | — | — | EP | disclosed |
| WO-2014053694-A1 | N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS | ORION CORPORATION (FI) | 2014-04-10 | — | — | WO | disclosed |