Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 6/20 | 0.47 |
| ▸ | CDK9 | P50750 | 6/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.47 |
| ▸ | CDK2 | P24941 | 5/20 | 0.47 |
| ▸ | CCNA1 | P78396 | 5/20 | 0.47 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | PTGER1 | P34995 | 4/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.36 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| SCHEMBL6826434 | 0.84 | HDAC8 (0.39) | CCNT1CDK9CCNA2CDK2CCNA1 | |
| SCHEMBL6823947 | 0.77 | MRGPRX4 (0.43) | MRGPRX4LRRK2PTGER1BRD4DHODH | |
| SCHEMBL6916270 | 0.77 | MRGPRX4 (0.41) | MRGPRX4LRRK2PTGER1BRD4SYK | |
| SCHEMBL6823543 | 0.76 | MRGPRX4 (0.42) | MRGPRX4LRRK2PTGER1BRD4DHODH | |
| SCHEMBL6823726 | 0.73 | MRGPRX4 (0.50) | MRGPRX4LRRK2PTGER1HDAC8HDAC1 | |
| SCHEMBL6823862 | 0.73 | HDAC8 (0.42) | CCNT1CDK9CDK2HDAC8HDAC1 | |
| SCHEMBL7068093 | 0.72 | RAF1 (0.45) | CDK2MRGPRX4BRD4 | |
| SCHEMBL6820830 | 0.71 | MRGPRX4 (0.46) | MRGPRX4LRRK2PTGER1BRD4HDAC8 | |
| SCHEMBL6824812 | 0.70 | CDK1 (0.39) | CDK2BRD4 | |
| SCHEMBL6919700 | 0.69 | MRGPRX4 (0.47) | MRGPRX4LRRK2PTGER1HDAC8HDAC1 |
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 |