Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | PRLHR | P49683 | 4/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 3/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3370807 | 0.92 | TRPA1 (0.43) | TRPA1AAK1NR3C1EGLN2 | |
| SCHEMBL19790593 | 0.90 | TRPA1 (0.43) | TRPA1AAK1CYP2D6 | |
| SCHEMBL14923546 | 0.90 | TRPA1 (0.43) | TRPA1AAK1CYP2D6 | |
| SCHEMBL15081406 | 0.90 | TRPA1 (0.42) | TRPA1AAK1NR3C1EGLN2 | |
| SCHEMBL15081357 | 0.90 | TRPA1 (0.43) | TRPA1AAK1NR3C1EGLN2 | |
| SCHEMBL15081390 | 0.88 | TRPA1 (0.42) | TRPA1AAK1NR3C1EGLN2 | |
| SCHEMBL15081308 | 0.86 | TRPA1 (0.42) | TRPA1AAK1CNR1EGLN2CNR2 | |
| SCHEMBL15081419 | 0.84 | TRPA1 (0.42) | TRPA1AAK1EGLN2 | |
| SCHEMBL14923604 | 0.84 | TRPA1 (0.47) | TRPA1AAK1EGLN2 | |
| SCHEMBL14931143 | 0.84 | TRPA1 (0.47) | TRPA1AAK1EGLN2 |
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-2799431-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM Corporation (JP) | 2014-11-05 | — | — | EP | disclosed |
| WO-2013099041-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | 富士フイルム株式会社 (JP) | 2013-07-04 | — | — | WO | disclosed |