Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 7/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 5/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CTPS1 | P17812 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL364496 | 0.82 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1MAPK1KDM4ELMNA | |
| SCHEMBL359075 | 0.80 | MAPK1 (0.66) | ALDH1A1L3MBTL1MAPK1KDM4ELMNA | |
| SCHEMBL28974448 | 0.79 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1MAPK1KDM4ELMNA | |
| SCHEMBL28974447 | 0.79 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1MAPK1KDM4ELMNA | |
| Bromide SCHEMBL11509454 | 0.77 | ALDH1A1 (0.69) | ALDH1A1L3MBTL1MAPK1KDM4ELMNA | |
| SCHEMBL358714 | 0.77 | ALDH1A1 (0.58) | ALDH1A1L3MBTL1MAPK1KDM4ELMNA | |
| SCHEMBL12505502 | 0.77 | NOTUM (0.45) | ALDH1A1L3MBTL1KDM4ESMN1; SMN2MAPT | |
| SCHEMBL2221739 | 0.77 | MAPK1 (0.67) | ALDH1A1L3MBTL1MAPK1KDM4ELMNA | |
| SCHEMBL365738 | 0.75 | LMNA (0.56) | ALDH1A1L3MBTL1MAPK1KDM4ELMNA | |
| SCHEMBL10254509 | 0.74 | MAPK1 (0.56) | ALDH1A1L3MBTL1MAPK1KDM4ELMNA |
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 |