Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | PTPRF | P10586 | 1/20 | 0.36 |
| ▸ | CDC25B | P30305 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | CEL | P19835 | 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 | |
|---|---|---|---|---|
| SCHEMBL31733803 | 0.86 | PTGS2 (0.41) | PTGDR2PTGS2NOS1PTPN1PTPRC | |
| SCHEMBL5600840 | 0.80 | PTGS2 (0.41) | PTGDR2PTGS2PTPN1PTPRCPTPRF | |
| SCHEMBL1745271 | 0.79 | PTGDR2 (0.47) | PTGDR2PTGS2 | |
| SCHEMBL42781 | 0.78 | PTGDR2 (0.48) | PTGDR2PTGS2NOS1PTPN1PTPRC | |
| SCHEMBL20241552 | 0.78 | ADRA2A (0.45) | ADRA2AADRA2BADRA2CIDO1 | |
| Hydrogen Peroxide SCHEMBL11527811 | 0.77 | PTGDR2 (0.44) | PTGDR2PTGS2PTPN1PTPRCPTPRF | |
| SCHEMBL11366017 | 0.77 | PTGS2 (0.43) | PTGDR2PTGS2PTPN1PTPRCPTPRF | |
| SCHEMBL9203356 | 0.77 | PTGDR2 (0.41) | PTGDR2PTGS2PTPN1PTPRCPTPRF | |
| SCHEMBL28904978 | 0.76 | PTGDR2 (0.44) | PTGDR2PTGS2NOS1PTPN1PTPRC | |
| SCHEMBL11146962 | 0.76 | ADRA2A (0.39) | PTGDR2PTGS2PTPN1PTPRCPTPRF |
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 |
|---|---|---|---|---|---|---|---|
| EP-1246793-B1 | SUBSTITUTED AMINOMETHYL-PHENYL-CYCLOHEXANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2004-11-10 | — | — | EP | claimed |