Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 5/20 | 0.49 |
| ▸ | CDK2 | P24941 | 5/20 | 0.49 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6918875 | 0.96 | CDK1 (0.55) | CDK1CDK2HSD17B14HRH4HTR3A | |
| SCHEMBL6826440 | 0.94 | CDK1 (0.55) | CDK1CDK2RAF1BRAF | |
| SCHEMBL6825113 | 0.94 | CDK1 (0.44) | CDK1CDK2HRH4RAF1BRAF | |
| SCHEMBL6820798 | 0.87 | CDK1 (0.40) | CDK1CDK2HSD17B14HRH4RAF1 | |
| SCHEMBL6826342 | 0.84 | KMT2A (0.40) | CDK1CDK2HSD17B14 | |
| SCHEMBL6824426 | 0.82 | CDK1 (0.43) | CDK1CDK2HSD17B14HRH4 | |
| SCHEMBL6824603 | 0.82 | MAPT (0.39) | CDK1CDK2HSD17B14 | |
| SCHEMBL6823658 | 0.82 | HSD17B14 (0.36) | CDK1CDK2HSD17B14 | |
| SCHEMBL7064551 | 0.82 | ADORA2A (0.41) | CDK1CDK2HSD17B14HRH4 | |
| SCHEMBL6824582 | 0.81 | CYP46A1 (0.39) | CDK1CDK2HSD17B14 |
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 2 patents. 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 | claimed |
| WO-2004080979-A1 | NOVEL 3-(2-AMINO-4-PYRIMIDINYL)-4-HYDROXYPHENYL KETONE DERIVATIVES | LG LIFE SCIENCES LTD. (KR) | 2004-09-23 | — | — | WO | disclosed |