Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA4 | P22748 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | GPR88 | Q9GZN0 | 6/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2000963 | 0.91 | NR1H2 (0.41) | ALDH1A1KDM4ETDP1CA12CA1 | |
| SCHEMBL2005055 | 0.90 | PTGS1 (0.40) | ALDH1A1KDM4ETDP1CA12CA1 | |
| SCHEMBL2000480 | 0.87 | TSHR (0.45) | ALDH1A1KDM4EL3MBTL1MEN1HTT | |
| SCHEMBL2001772 | 0.85 | MAPT (0.47) | ALDH1A1KDM4ETDP1L3MBTL1MEN1 | |
| SCHEMBL2005056 | 0.81 | PTGS1 (0.40) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL1998245 | 0.81 | NR1H2 (0.43) | ALDH1A1KDM4ETDP1CA12CA1 | |
| SCHEMBL2005919 | 0.81 | TBXAS1 (0.35) | KDM4EKMT2A | |
| SCHEMBL2000298 | 0.81 | KMT2A (0.43) | ALDH1A1KDM4EHTTKMT2AGAA | |
| SCHEMBL2004216 | 0.80 | MEN1 (0.36) | ALDH1A1KDM4EL3MBTL1MEN1HTT | |
| SCHEMBL2003669 | 0.79 | ALDH1A1 (0.41) | ALDH1A1KDM4EMEN1KMT2AMTNR1A |
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 |
|---|---|---|---|---|---|---|---|
| US-7960380-B2 | Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators | ASTRAZENECA AB (SE) | 2011-06-14 | — | — | US | disclosed |