Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | VRK1 | Q99986 | 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 | |
|---|---|---|---|---|
| SCHEMBL25027697 | 1.00 | THRB (0.36) | THRBHSD17B10HPGDTSHRCASP1 | |
| SCHEMBL25027710 | 0.82 | THRB (0.46) | THRBHSD17B10HPGDTSHRCASP1 | |
| SCHEMBL22831784 | 0.82 | THRB (0.36) | THRBHSD17B10HPGDTSHRCASP1 | |
| SCHEMBL31150392 | 0.82 | THRB (0.36) | THRBHSD17B10HPGDTSHRCASP1 | |
| SCHEMBL25027714 | 0.78 | ERN1 (0.37) | THRBHSD17B10HPGDTSHRCASP1 | |
| SCHEMBL3790406 | 0.78 | VRK1 (0.34) | ALDH1A1VRK1GAA | |
| SCHEMBL9153454 | 0.78 | GRIN2D (0.36) | CYP3A4ALDH1A1GAA | |
| SCHEMBL8525834 | 0.78 | GAA (0.35) | CYP3A4ALDH1A1CA12CA1CA2 | |
| SCHEMBL25038844 | 0.75 | GAA (0.32) | THRBCYP3A4MAPK1ALDH1A1GAA | |
| SCHEMBL24133307 | 0.74 | HSD17B10 (0.35) | HSD17B10HPGDTSHRCASP1ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115215799-A | Urea multi-target tyrosine kinase inhibitor and various medical applications thereof | 上海爱博医药科技有限公司 | 2022-10-21 | — | — | CN | disclosed |