Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL477417 | 0.79 | PTGDR2 (0.46) | PTGDR2NAAAPTGS2SLC6A2SLC6A4 | |
| SCHEMBL251314 | 0.78 | PTGDR2 (0.40) | PTGDR2NAAAPTGS2SLC6A2SLC6A4 | |
| SCHEMBL2446792 | 0.78 | PTGDR2 (0.43) | PTGDR2NAAAPTGS2SLC6A2SLC6A4 | |
| SCHEMBL1515856 | 0.78 | PTGDR2 (0.43) | PTGDR2NAAAPTGS2SLC6A2SLC6A4 | |
| SCHEMBL10049306 | 0.77 | PTGDR2 (0.40) | PTGDR2NAAAPTGS2SLC6A2SLC6A4 | |
| SCHEMBL7257808 | 0.77 | PTGDR2 (0.44) | PTGDR2NAAAPTGS2SLC6A2SLC6A4 | |
| SCHEMBL18668719 | 0.76 | KMT2A (0.40) | PTGDR2NAAAPTGS2SLC6A2SLC6A4 | |
| SCHEMBL9203359 | 0.76 | PTGDR2 (0.44) | PTGDR2NAAAPTGS2SLC6A2SLC6A4 | |
| SCHEMBL2442841 | 0.76 | PTGDR2 (0.41) | PTGDR2NAAAPTGS2SLC6A2SLC6A4 | |
| SCHEMBL11265348 | 0.75 | PTGDR2 (0.42) | PTGDR2NAAAPTGS2SLC6A2SLC6A4 |
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-2003082852-A1 | NOVEL SUBSTITUTED 1,2,4-TRIOXANES USEFUL AS ANTIMALARIAL AGENTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2003-10-09 | — | — | WO | disclosed |