Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | TYMP | P19971 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL359961 | 0.89 | KDM4E (0.51) | KDM4EHTTALDH1A1LMNAPOLB | |
| SCHEMBL16147113 | 0.85 | KDM4E (0.53) | KDM4EHTTALDH1A1LMNAPOLB | |
| SCHEMBL357944 | 0.83 | KDM4E (0.58) | KDM4EHTTALDH1A1LMNAPOLB | |
| SCHEMBL29977999 | 0.83 | KDM4E (0.58) | KDM4EHTTALDH1A1LMNAPOLB | |
| SCHEMBL12505429 | 0.82 | NOTUM (0.45) | KDM4EHTTALDH1A1NOTUMKMT2A | |
| SCHEMBL364706 | 0.82 | NOTUM (0.45) | KDM4EHTTALDH1A1LMNAPOLB | |
| SCHEMBL359829 | 0.81 | KDM4E (0.56) | KDM4EHTTALDH1A1LMNAPOLB | |
| SCHEMBL23486526 | 0.79 | KDM4E (0.55) | KDM4EHTTALDH1A1LMNAPOLB | |
| SCHEMBL16146819 | 0.79 | ALDH1A1 (0.59) | KDM4EHTTALDH1A1LMNAPOLB | |
| SCHEMBL359101 | 0.79 | KDM4E (0.55) | KDM4EHTTALDH1A1LMNAPOLB |
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 2 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 | 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 |