Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMP | P19971 | 2/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL363125 | 0.92 | TYMP (0.40) | TYMPCYP1A2CYP2D6AKR1C3ACHE | |
| SCHEMBL358287 | 0.89 | ALOX5 (0.39) | TYMPCYP2D6PDE10AIRAK4ALOX5 | |
| SCHEMBL363714 | 0.86 | CNR1 (0.38) | CYP1A2CYP2D6 | |
| SCHEMBL359605 | 0.83 | BPTF (0.43) | CYP1A2CYP2D6IRAK4MEN1ALDH1A1 | |
| SCHEMBL358676 | 0.82 | ALOX5 (0.43) | CYP1A2CYP2D6PDE10AIRAK4ACHE | |
| SCHEMBL357191 | 0.81 | TYMP (0.42) | TYMPCYP2D6IRAK4ALOX5MAPT | |
| SCHEMBL359662 | 0.78 | AR (0.40) | PDE10AIRAK4NOTUMALDH1A1 | |
| SCHEMBL364015 | 0.77 | PTPN11 (0.37) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL358732 | 0.77 | CXCR4 (0.41) | CYP1A2CYP2D6IRAK4 | |
| SCHEMBL357997 | 0.75 | HRH4 (0.41) | CYP1A2CYP2D6NOTUMMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2593457-A1 | PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | claimed |
| WO-2012007375-A1 | PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | claimed |
| EP-2593457-A1 | PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007375-A1 | PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |