Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.42 |
| ▸ | OGA | O60502 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | SORD | Q00796 | 6/20 | 0.40 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6798249 | 0.81 | ALOX5 (0.57) | ALOX5HRH3HCRTR1HCRTR2BACE1 | |
| SCHEMBL31383621 | 0.81 | ALOX5 (0.47) | ALOX5DRD3SORD | |
| SCHEMBL31469904 | 0.81 | ALOX5 (0.47) | ALOX5DRD3SORD | |
| SCHEMBL20343479 | 0.78 | HCRTR1 (0.47) | ALOX5HRH3HCRTR1HCRTR2BACE1 | |
| SCHEMBL2327416 | 0.78 | ALOX5 (0.44) | ALOX5HRH3HCRTR1HCRTR2BACE1 | |
| SCHEMBL7392423 | 0.77 | ALOX5 (0.46) | ALOX5HRH3HCRTR1HCRTR2BACE1 | |
| Hydrochloric Acid SCHEMBL9005370 | 0.76 | ALOX5 (0.45) | ALOX5HRH3HCRTR1HCRTR2BACE1 | |
| SCHEMBL1275290 | 0.76 | HTR3A (0.62) | ALOX5HRH3OGAHTR1AHTR2A | |
| SCHEMBL4573088 | 0.76 | CHRM4 (0.58) | ALOX5HRH3HCRTR1HCRTR2BACE1 | |
| SCHEMBL31469888 | 0.75 | SORD (0.37) | HTR1ASORD |
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-2022211573-A1 | PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME | 주식회사 테라펙스 | 2022-10-06 | — | — | WO | disclosed |