Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28049484 | 0.77 | TRPA1 (0.44) | ALDH1A1HTTTAAR1IDO1AOC3 | |
| SCHEMBL27688222 | 0.72 | PPARG (0.39) | ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28049578 | 0.72 | PTPN1 (0.37) | ALDH1A1CYP2D6CYP3A4MAPK1HTT | |
| SCHEMBL28049460 | 0.72 | TAAR1 (0.40) | ALDH1A1CYP2D6CYP3A4TAAR1GAA | |
| SCHEMBL27688225 | 0.71 | ALOX5AP (0.46) | ALDH1A1LMNA | |
| SCHEMBL28015442 | 0.71 | TRPA1 (0.41) | HTTIDO1AOC3 | |
| SCHEMBL139640 | 0.68 | GABRA1 (0.52) | ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28049472 | 0.67 | HTR7 (0.37) | SLC6A2SLC6A4SLC6A3MAPK1SMN1; SMN2 | |
| SCHEMBL1467599 | 0.66 | TAAR1 (0.52) | ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27984832 | 0.66 | TAAR1 (0.38) | ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3 |
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 |