Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL26184797 | 0.92 | HTR2A (0.38) | KDM4ETSHRALDH1A1POLBAPLNR | |
| SCHEMBL22087758 | 0.92 | POLB (0.35) | KDM4ETSHRALDH1A1POLBAPLNR | |
| SCHEMBL22089038 | 0.85 | HTR2A (0.36) | KDM4ETSHRALDH1A1POLBAPLNR | |
| SCHEMBL19634057 | 0.84 | KDM4E (0.34) | KDM4ETSHRALDH1A1POLBAPLNR | |
| SCHEMBL19634002 | 0.84 | DHFR (0.34) | KDM4ETSHRALDH1A1POLBAPLNR | |
| SCHEMBL22088610 | 0.82 | ALDH1A1 (0.35) | TSHRALDH1A1POLBGAACYP1A2 | |
| SCHEMBL29835190 | 0.80 | KDM4E (0.37) | KDM4ETSHRALDH1A1POLBAPLNR | |
| SCHEMBL20096250 | 0.80 | POLB (0.39) | KDM4ETSHRALDH1A1POLBAPLNR | |
| SCHEMBL19633950 | 0.79 | TSHR (0.33) | KDM4ETSHRALDH1A1POLBAPLNR | |
| SCHEMBL19634236 | 0.78 | KDM4E (0.35) | KDM4ETSHRALDH1A1POLBAPLNR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3541373-B1 | DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME LLC (US) | 2023-11-01 | — | — | EP | disclosed |
| EP-3389654-B1 | DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME LLC (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2018093694-A1 | DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |
| WO-2017106409-A1 | DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2017-06-22 | — | — | WO | disclosed |