Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALPG | P10696 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19877202 | 1.00 | TRPA1 (0.41) | TRPA1AOC3IDO1TDO2HDAC3 | |
| SCHEMBL4599672 | 1.00 | TRPA1 (0.41) | TRPA1AOC3IDO1TDO2HDAC3 | |
| SCHEMBL8508929 | 0.87 | PGK1 (0.36) | TRPA1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL3421080 | 0.82 | AOC3 (0.36) | TRPA1AOC3IDO1TDO2HDAC3 | |
| SCHEMBL11017734 | 0.79 | SLC6A3 (0.35) | TRPA1AOC3IDO1TDO2HDAC3 | |
| SCHEMBL9075363 | 0.78 | TSHR (0.48) | AOC3IDO1TDO2HDAC4HDAC7 | |
| SCHEMBL7360258 | 0.76 | AOC3 (0.38) | AOC3IDO1TDO2ALDH1A1LMNA | |
| SCHEMBL31173904 | 0.76 | IDO1 (0.38) | AOC3IDO1TDO2HDAC3HDAC4 | |
| SCHEMBL27878321 | 0.76 | HTR2A (0.39) | — | |
| SCHEMBL15011402 | 0.76 | CES2 (0.42) | HTT |
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-1043319-B1 | NOVEL ALKYLAMINO DERIVATIVES | MITSUBISHI CHEM CORP (JP) | 2005-03-16 | — | — | EP | disclosed |
| EP-1043319-A1 | NOVEL ALKYLAMINO DERIVATIVES | MITSUBISHI CHEMICAL CORPORATION (JP) | 2000-10-11 | — | — | EP | disclosed |