Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6824608 | 1.00 | TSHR (0.46) | TSHRCA12CA1CA2ESR1 | |
| SCHEMBL533868 | 0.87 | SMN1; SMN2 (0.55) | TSHRCA12CA1CA2ESR1 | |
| SCHEMBL533867 | 0.87 | SMN1; SMN2 (0.55) | TSHRCA12CA1CA2ESR1 | |
| SCHEMBL2010954 | 0.87 | SMN1; SMN2 (0.55) | TSHRCA12CA1CA2ESR1 | |
| SCHEMBL5074856 | 0.84 | KDM4E (0.47) | CA12CA1CA2ESR1CA9 | |
| SCHEMBL15677707 | 0.84 | KDM4E (0.47) | CA12CA1CA2ESR1CA9 | |
| SCHEMBL5074857 | 0.84 | KDM4E (0.47) | CA12CA1CA2ESR1CA9 | |
| SCHEMBL12473714 | 0.83 | SMN1; SMN2 (0.48) | TSHRALDH1A1SMN1; SMN2SLC22A1HTR1A | |
| SCHEMBL21774385 | 0.78 | TSHR (0.50) | TSHRCA1CA2ALDH1A1SMN1; SMN2 | |
| SCHEMBL21195765 | 0.78 | NPSR1 (0.55) | TSHRALDH1A1SMN1; SMN2SLC22A1HTR1A |
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-2004067518-A1 | SUBSTITUTED PYRIMIDINES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2004-08-12 | — | — | WO | disclosed |