Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.44 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.44 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.41 |
| ▸ | EEF2K | O00418 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14262143 | 0.84 | TNKS2 (0.47) | CA1CA2PTGS1PTGS2CYP3A4 | |
| SCHEMBL28114094 | 0.81 | CA1 (0.46) | CA1CA2PTGS1PTGS2HMGB1 | |
| SCHEMBL719239 | 0.79 | XDH (0.47) | CA1CA2PTGS1PTGS2HMGB1 | |
| SCHEMBL11172000 | 0.77 | CA1 (0.42) | CA1CA2PTGS1PTGS2HMGB1 | |
| SCHEMBL17873454 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL2431475 | 0.76 | ESR1 (0.63) | PTGS1CYP3A4ESR1ESR2ALOX5 | |
| SCHEMBL8306892 | 0.75 | CA1 (0.50) | CA1CA2PTGS1PTGS2HMGB1 | |
| SCHEMBL6900179 | 0.75 | TNKS (0.41) | CA1CA2CYP2C9KDM4EMAPT | |
| SCHEMBL9192227 | 0.74 | HMGB1 (0.43) | CA1CA2PTGS1PTGS2HMGB1 | |
| SCHEMBL5423387 | 0.74 | HMGB1 (0.43) | CA1CA2PTGS1PTGS2HMGB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1877411-A4 | DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV | ARDEA BIOSCIENCES INC (US) | 2008-10-22 | — | — | EP | disclosed |
| EP-1877411-A2 | DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV | Ardea Biosciences, Inc. (US) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006122003-A2 | DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV | ARDEA BIOSCIENCES, INC. (US) | 2006-11-16 | — | — | WO | disclosed |