Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 3/20 | 0.40 |
| ▸ | CTSK | P43235 | 3/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14923546 | 0.92 | TRPA1 (0.43) | TRPA1CTSSCTSKAAK1S1PR3 | |
| SCHEMBL19790593 | 0.92 | TRPA1 (0.43) | TRPA1CTSSCTSKAAK1S1PR3 | |
| SCHEMBL15081390 | 0.91 | TRPA1 (0.42) | TRPA1CTSSCTSKAAK1MEN1 | |
| SCHEMBL3370807 | 0.90 | TRPA1 (0.43) | TRPA1CTSSCTSKAAK1S1PR3 | |
| SCHEMBL15081357 | 0.90 | TRPA1 (0.43) | TRPA1AAK1S1PR3CTSLEGLN2 | |
| SCHEMBL16164554 | 0.87 | JAK2 (0.35) | CNR1CNR2S1PR3NPSR1MEN1 | |
| SCHEMBL16164556 | 0.87 | JAK2 (0.35) | CNR1CNR2S1PR3NPSR1MEN1 | |
| SCHEMBL15081406 | 0.86 | TRPA1 (0.42) | TRPA1AAK1S1PR3ALDH1A1HPGD | |
| SCHEMBL15081345 | 0.86 | TRPA1 (0.42) | TRPA1AAK1CNR1CNR2EGLN2 | |
| SCHEMBL15081497 | 0.86 | TRPA1 (0.43) | TRPA1CTSSCTSKAAK1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |