Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP7 | Q93009 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ACLY | P53396 | 1/20 | 0.47 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | CTRC | Q99895 | 1/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.42 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.42 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9183695 | 0.89 | TSHR (0.51) | USP7ALDH1A1TDP1MAPK1TSHR | |
| SCHEMBL357928 | 0.86 | PDK1 (0.55) | ALDH1A1TDP1MAPK1TSHRMEN1 | |
| SCHEMBL9513716 | 0.83 | KMT2A (0.49) | USP7ALDH1A1TDP1MAPK1TSHR | |
| SCHEMBL15716419 | 0.83 | S1PR4 (0.48) | ALDH1A1TDP1MAPK1TSHRACLY | |
| SCHEMBL9513417 | 0.83 | KMT2A (0.49) | USP7ALDH1A1TDP1MAPK1TSHR | |
| SCHEMBL358223 | 0.82 | ACLY (0.52) | ALDH1A1TDP1MAPK1TSHRMEN1 | |
| SCHEMBL358915 | 0.81 | ACLY (0.46) | ALDH1A1TDP1MAPK1TSHRACLY | |
| SCHEMBL8887647 | 0.81 | ALDH1A1 (0.68) | ALDH1A1TDP1MAPK1TSHRMEN1 | |
| SCHEMBL83731 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TDP1SMN1; SMN2LMNANPSR1 | |
| SCHEMBL535249 | 0.81 | MAPK1 (0.53) | ALDH1A1TDP1MAPK1TSHRMEN1 |
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 |