Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | HTR2A | P28223 | 4/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | CETP | P11597 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13250230 | 0.84 | HSD11B1 (0.43) | NR1H4HSD11B1HDAC3HDAC1HDAC2 | |
| SCHEMBL25609126 | 0.84 | HTR2A (0.46) | NR1H4HSD11B1L3MBTL1HTR2ALMNA | |
| SCHEMBL12988191 | 0.84 | NR1H4 (0.41) | NR1H4HSD11B1HDAC3HDAC1HDAC2 | |
| SCHEMBL14850008 | 0.83 | NR1H4 (0.39) | NR1H4HSD11B1HDAC3HDAC1HDAC2 | |
| SCHEMBL12987671 | 0.80 | KDM1A (0.41) | NR1H4HSD11B1HDAC3HDAC1HDAC2 | |
| SCHEMBL12987673 | 0.80 | KDM1A (0.41) | NR1H4HSD11B1HDAC3HDAC1HDAC2 | |
| SCHEMBL14829217 | 0.80 | KDM1A (0.41) | NR1H4HSD11B1HDAC3HDAC1HDAC2 | |
| SCHEMBL12988780 | 0.79 | HSD11B1 (0.40) | NR1H4HSD11B1HDAC3HDAC1HDAC2 | |
| SCHEMBL12988779 | 0.79 | HSD11B1 (0.40) | NR1H4HSD11B1HDAC3HDAC1HDAC2 | |
| SCHEMBL14829231 | 0.79 | HSD11B1 (0.40) | NR1H4HSD11B1HDAC3HDAC1HDAC2 |
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-2013049726-A2 | PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-04 | — | — | WO | disclosed |