Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 4/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.42 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 4/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.39 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.39 |
| ▸ | PTGER2 | P43116 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GCK | P35557 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6823726 | 0.79 | MRGPRX4 (0.50) | MRGPRX4LRRK2SMPD1HDAC1HDAC8 | |
| SCHEMBL6820830 | 0.77 | MRGPRX4 (0.46) | MRGPRX4LRRK2SMPD1HDAC1HDAC8 | |
| SCHEMBL5268601 | 0.77 | LRRK2 (0.53) | MRGPRX4LRRK2SMPD1HDAC1HDAC8 | |
| SCHEMBL5268600 | 0.77 | LRRK2 (0.53) | MRGPRX4LRRK2SMPD1HDAC1HDAC8 | |
| SCHEMBL5171831 | 0.75 | MRGPRX4 (0.59) | MRGPRX4LRRK2PTGER1PTGER4PTGER3 | |
| SCHEMBL14028604 | 0.75 | SGMS2 (0.56) | PTGER1NPC1MAPTL3MBTL1 | |
| SCHEMBL6823543 | 0.73 | MRGPRX4 (0.42) | MRGPRX4LRRK2PTGER1GCK | |
| SCHEMBL1647381 | 0.71 | FOLH1 (0.67) | MRGPRX4LRRK2PTGER1PTGER4PTGER3 | |
| SCHEMBL30070790 | 0.71 | MRGPRX4 (0.54) | MRGPRX4LRRK2SMPD1HDAC1HDAC8 | |
| SCHEMBL5179322 | 0.71 | MRGPRX4 (0.54) | MRGPRX4LRRK2SMPD1HDAC1HDAC8 |
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-2004080979-A1 | NOVEL 3-(2-AMINO-4-PYRIMIDINYL)-4-HYDROXYPHENYL KETONE DERIVATIVES | LG LIFE SCIENCES LTD. (KR) | 2004-09-23 | — | — | WO | disclosed |