Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | TEAD3 | Q99594 | 2/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26649008 | 0.97 | ALDH1A1 (0.44) | ALDH1A1TSHRLTA4HCHRM3CHRM2 | |
| SCHEMBL28654159 | 0.85 | TACR1 (0.45) | ALDH1A1TSHRLTA4HTACR1CYP2C19 | |
| SCHEMBL100117 | 0.82 | TACR1 (0.45) | ALDH1A1TSHRLTA4HTACR1CYP2C19 | |
| SCHEMBL27564294 | 0.81 | ALDH1A1 (0.43) | ALDH1A1TSHRLTA4HCHRM3CHRM2 | |
| SCHEMBL27203711 | 0.79 | TSHR (0.45) | ALDH1A1TSHRLTA4HCHRM3CHRM2 | |
| SCHEMBL6170590 | 0.78 | TSHR (0.48) | ALDH1A1TSHRTACR1CYP2C19SLC1A3 | |
| SCHEMBL10285224 | 0.78 | TACR1 (0.49) | ALDH1A1TSHRSLC6A4TACR1TEAD3 | |
| SCHEMBL6651296 | 0.76 | ALDH1A1 (0.43) | ALDH1A1TSHRLTA4HCHRM3CHRM2 | |
| SCHEMBL2801258 | 0.76 | ALDH1A1 (0.37) | ALDH1A1CHRM3CHRM2CHRM1SLC6A2 | |
| SCHEMBL27353867 | 0.75 | MAOA (0.45) | ALDH1A1OPRM1MEN1KMT2A |
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-3891157-A1 | 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | Merck Sharp & Dohme Corp. (US) | 2021-10-13 | — | — | EP | disclosed |
| WO-2020117626-A1 | 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2020-06-11 | — | — | WO | disclosed |