Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 7/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.34 |
| ▸ | TAOK1 | Q7L7X3 | 2/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.34 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.34 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15827311 | 0.81 | EPHX2 (0.43) | EPHX2NR1H4HDAC1HDAC6CDK5 | |
| SCHEMBL1672500 | 0.78 | EPHX2 (0.39) | EPHX2NR1H4HDAC1HDAC6CDK5 | |
| SCHEMBL9899292 | 0.75 | ALDH1A1 (0.41) | EPHX2NR1H4HDAC1HDAC6CDK5 | |
| SCHEMBL9898822 | 0.74 | EPHX2 (0.37) | EPHX2NR1H4PTGESP2RX7 | |
| SCHEMBL9899593 | 0.72 | PTGES (0.36) | EPHX2NR1H4PTGES | |
| SCHEMBL9944728 | 0.72 | EPHX2 (0.36) | EPHX2NR1H4PTGESP2RX7 | |
| SCHEMBL1671901 | 0.71 | P2RX7 (0.39) | EPHX2NR1H4P2RX7 | |
| SCHEMBL2038111 | 0.71 | DDR1 (0.41) | EPHX2NR1H4HDAC1HDAC6CDK5 | |
| SCHEMBL9944729 | 0.71 | PTGES (0.35) | EPHX2NR1H4PTGES | |
| SCHEMBL14782970 | 0.70 | EPHX2 (0.40) | EPHX2NR1H4HDAC1HDAC6CDK5 |
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-2012022793-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-23 | — | — | WO | disclosed |