Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 3/20 | 0.71 |
| ▸ | TUBB1 | Q9H4B7 | 5/20 | 0.67 |
| ▸ | TUBB4A | P04350 | 4/20 | 0.67 |
| ▸ | TUBB | P07437 | 4/20 | 0.67 |
| ▸ | TUBA3C | P0DPH7 | 4/20 | 0.67 |
| ▸ | TUBA1B | P68363 | 4/20 | 0.67 |
| ▸ | TUBA4A | P68366 | 4/20 | 0.67 |
| ▸ | TUBB4B | P68371 | 4/20 | 0.67 |
| ▸ | TUBB3 | Q13509 | 4/20 | 0.67 |
| ▸ | TUBB2A | Q13885 | 4/20 | 0.67 |
| ▸ | TUBB8 | Q3ZCM7 | 4/20 | 0.67 |
| ▸ | TUBA3E | Q6PEY2 | 4/20 | 0.67 |
| ▸ | TUBA1A | Q71U36 | 4/20 | 0.67 |
| ▸ | TUBA1C | Q9BQE3 | 4/20 | 0.67 |
| ▸ | TUBB6 | Q9BUF5 | 4/20 | 0.67 |
| ▸ | TUBB2B | Q9BVA1 | 4/20 | 0.67 |
| ▸ | TYR | P14679 | 1/20 | 0.58 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL25990122 | 0.85 | APP (0.71) | APPTUBB1TUBB4ATUBBTUBA3C | |
| Methylisoeugenol SCHEMBL112937 | 0.82 | TYR (0.69) | APPTUBB1TUBB4ATUBBTUBA3C | |
| Methylisoeugenol SCHEMBL29518298 | 0.82 | TYR (0.69) | APPTUBB1TUBB4ATUBBTUBA3C | |
| Methylisoeugenol SCHEMBL1760676 | 0.82 | TYR (0.69) | APPTUBB1TUBB4ATUBBTUBA3C | |
| Methylisoeugenol SCHEMBL30203196 | 0.82 | TYR (0.69) | APPTUBB1TUBB4ATUBBTUBA3C | |
| Methylisoeugenol SCHEMBL1532669 | 0.82 | TYR (0.69) | APPTUBB1TUBB4ATUBBTUBA3C | |
| Methylisoeugenol SCHEMBL29364555 | 0.82 | TYR (0.69) | APPTUBB1TUBB4ATUBBTUBA3C | |
| SCHEMBL291904 | 0.80 | TUBB1 (1.00) | APPTUBB1TUBB4ATUBBTUBA3C | |
| SCHEMBL13660060 | 0.80 | TUBB1 (0.76) | APPTUBB1TUBB4ATUBBTUBA3C | |
| SCHEMBL1284983 | 0.80 | NQO2 (0.72) | APPTUBB1TUBB4ATUBBTUBA3C |
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 |