Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 6/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 4/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HBB | P68871 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4289906 | 1.00 | CA2 (0.41) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL5695479 | 1.00 | CA2 (0.41) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL7948821 | 0.81 | CA2 (0.41) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL95677 | 0.81 | CA2 (0.44) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| Iodide SCHEMBL29719539 | 0.79 | MAOB (0.37) | SIGMAR1NISCHCHRM2CHRM4CHRM5 | |
| SCHEMBL5845061 | 0.76 | ESR1 (0.56) | — | |
| SCHEMBL28452012 | 0.76 | HTR2C (0.48) | HTR1AADRA2AADRA2BADRA2CHTR1D | |
| SCHEMBL460126 | 0.75 | CA2 (0.44) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL30070640 | 0.75 | CA2 (0.44) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL29462397 | 0.74 | CA2 (0.46) | CA2HTR1ASIGMAR1ADRA2AADRA2B |
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-114685487-A | Pyrimidine heterocyclic compound, preparation method and application | 上海凌达生物医药有限公司 | 2022-07-01 | — | — | CN | disclosed |