Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP7 | P09237 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | ALPI | P09923 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18978960 | 0.84 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDGAACA2 | |
| SCHEMBL29497689 | 0.84 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDGAACA2 | |
| SCHEMBL7168198 | 0.78 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDGAACA2 | |
| SCHEMBL12179249 | 0.75 | NR1H2 (0.39) | ALDH1A1GAANR1H2 | |
| SCHEMBL16904955 | 0.75 | ENPP2 (0.42) | ALDH1A1HPGDGAANR1H2ALPL | |
| SCHEMBL1792921 | 0.74 | WDR5 (0.40) | ALDH1A1NR1H2 | |
| SCHEMBL16616435 | 0.74 | PSEN1 (0.47) | — | |
| SCHEMBL2553161 | 0.71 | ENPP2 (0.47) | CA2NR1H2PTGS2NR1H3RXRA | |
| SCHEMBL15836206 | 0.71 | PKM (0.54) | ALDH1A1HPGDNR1H2 | |
| SCHEMBL5662195 | 0.71 | PTGS2 (0.47) | ALDH1A1KDM4EHPGDGAACA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996036595-A1 | 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE | CHIROSCIENCE LIMITED (GB) | 1996-11-21 | — | — | WO | disclosed |