Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL28867116 | 0.72 | EPHX1 (0.42) | ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL7267232 | 0.71 | ESR1 (0.61) | TRPA1MAOBHTTMAOAIDO1 | |
| SCHEMBL10397242 | 0.70 | AOC3 (0.52) | TRPA1HTTIDO1LOXL2AOC3 | |
| SCHEMBL8411271 | 0.70 | MAOA (0.45) | MAOBMAOA | |
| Hydrochloric Acid SCHEMBL7272232 | 0.69 | ESR1 (0.59) | TRPA1MAOBHTTMAOAIDO1 | |
| SCHEMBL104511 | 0.69 | TRPA1 (0.59) | TRPA1MAOBMAOAIDO1LOXL2 | |
| SCHEMBL20187377 | 0.69 | IDO1 (0.41) | HTTIDO1AOC3ALDH1A1 | |
| SCHEMBL9170494 | 0.69 | TRPA1 (0.59) | TRPA1MAOBMAOAIDO1LOXL2 | |
| SCHEMBL13017113 | 0.68 | TRPA1 (0.53) | TRPA1MAOBMAOALMNAESR1 | |
| SCHEMBL4806848 | 0.68 | TRPA1 (0.44) | TRPA1MAOBHTTMAOAIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102369188-B | As the replacement niacinamide of KCNQ2/3 conditioning agent | GRUNENTHAL GMBH (DE) | 2016-03-02 | — | — | CN | claimed |
| CN-102369188-B | As the replacement niacinamide of KCNQ2/3 conditioning agent | GRUNENTHAL GMBH (DE) | 2016-03-02 | — | — | CN | disclosed |