Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL353290 | 0.70 | OPRM1 (0.42) | CA2RORCRIPK1MEN1KMT2A | |
| SCHEMBL8504022 | 0.69 | ALDH1A1 (0.40) | CA2CYP2C9CYP2C19CYP1A2HSD11B1 | |
| SCHEMBL22861240 | 0.68 | CA2 (0.46) | CA2HSD11B1MEN1KMT2ATAS2R14 | |
| SCHEMBL16680276 | 0.68 | CYP1A2 (0.41) | CA2CYP2C9CYP2C19CYP1A2PTPN1 | |
| SCHEMBL22861236 | 0.68 | HDAC3 (0.46) | CA2RORCHSD11B1MEN1KMT2A | |
| SCHEMBL10655752 | 0.68 | TSHR (0.50) | CA2CYP2C19NR1H3NR1H2CYP2D6 | |
| SCHEMBL4459190 | 0.67 | CA2 (0.48) | CA2HSD11B1MEN1KMT2ATAS2R14 | |
| SCHEMBL918029 | 0.66 | HDAC3 (0.51) | CA2RORCLTA4H | |
| SCHEMBL27273867 | 0.66 | HDAC3 (0.47) | CA2RORCLTA4H | |
| SCHEMBL28523868 | 0.66 | CA2 (0.43) | CA2HSD11B1MEN1KMT2ATAS2R14 |
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-0861233-A1 | N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES | G.D. SEARLE & CO. (US) | 1998-09-02 | — | — | EP | claimed |
| WO-1997018190-A1 | N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES | G.D. SEARLE & CO. (US) | 1997-05-22 | — | — | WO | claimed |
| EP-0861233-A1 | N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES | G.D. SEARLE & CO. (US) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997018190-A1 | N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES | G.D. SEARLE & CO. (US) | 1997-05-22 | — | — | WO | disclosed |