Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | LMNA | P02545 | 3/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.69 |
| ▸ | USP2 | O75604 | 2/20 | 0.69 |
| ▸ | HPGD | P15428 | 2/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.69 |
| ▸ | CA2 | P00918 | 2/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.69 |
| ▸ | BLM | P54132 | 1/20 | 0.69 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.69 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.69 |
| ▸ | AQP1 | P29972 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 14/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11841124 | 0.84 | KDM4E (0.88) | ALDH1A1LMNAKDM4EUSP2HPGD | |
| SCHEMBL10224099 | 0.83 | KDM4E (0.80) | ALDH1A1LMNAKDM4EUSP2HPGD | |
| SCHEMBL11795232 | 0.83 | KDM4E (0.62) | ALDH1A1LMNAKDM4EUSP2HPGD | |
| SCHEMBL11784490 | 0.82 | ALDH1A1 (0.74) | ALDH1A1LMNAKDM4EUSP2HPGD | |
| Bumetanide SCHEMBL4425232 | 0.82 | KDM4E (1.00) | ALDH1A1LMNAKDM4EUSP2HPGD | |
| Bumetanide SCHEMBL27525 | 0.82 | KDM4E (1.00) | ALDH1A1LMNAKDM4EUSP2HPGD | |
| Bumetanide SCHEMBL29388271 | 0.82 | KDM4E (1.00) | ALDH1A1LMNAKDM4EUSP2HPGD | |
| Bumetanide SCHEMBL23455698 | 0.81 | KDM4E (0.98) | ALDH1A1LMNAKDM4EUSP2HPGD | |
| SCHEMBL11840406 | 0.81 | KDM4E (0.94) | ALDH1A1LMNAKDM4EUSP2HPGD | |
| Bumetanide SCHEMBL251062 | 0.81 | KDM4E (0.98) | ALDH1A1LMNAKDM4EUSP2HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2598478-A2 | ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | Neurotherapeutics Pharma, Inc. (US) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012018635-A2 | ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2012-02-09 | — | — | WO | disclosed |
| WO-2012018635-A2 | ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2012-02-09 | — | — | WO | disclosed |