Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | AGXT | P21549 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL28049484 | 0.83 | TRPA1 (0.44) | TAAR1IDO1ALDH1A1MAOB | |
| SCHEMBL28049578 | 0.81 | PTPN1 (0.37) | TAAR1MEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL28049485 | 0.72 | ALDH1A1 (0.44) | TAAR1IDO1ALDH1A1CYP3A4GAA | |
| SCHEMBL28049466 | 0.72 | ACP3 (0.46) | IDO1MEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL2623871 | 0.71 | TAAR1 (0.50) | TAAR1SLC1A1IDO1AGXTCYP2D6 | |
| SCHEMBL8873187 | 0.70 | SLC1A1 (0.56) | SLC1A1MEN1KMT2APPARGMDM2 | |
| SCHEMBL1530031 | 0.70 | PNMT (0.60) | TAAR1SLC1A1IDO1AGXT | |
| SCHEMBL14478266 | 0.70 | PNMT (0.60) | TAAR1SLC1A1IDO1AGXT | |
| SCHEMBL29410132 | 0.70 | PNMT (0.60) | TAAR1SLC1A1IDO1AGXT | |
| SCHEMBL2561950 | 0.70 | PNMT (0.60) | TAAR1SLC1A1IDO1AGXT |
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 |