Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 6/20 | 0.45 |
| ▸ | AKT1 | P31749 | 3/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | CCNC | P24863 | 3/20 | 0.41 |
| ▸ | CDK8 | P49336 | 3/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL358343 | 0.86 | SMYD3 (0.40) | SMYD3AKT1CDK2HDAC3HDAC1 | |
| SCHEMBL28037799 | 0.72 | SMYD3 (0.46) | SMYD3AKT1CDK2 | |
| SCHEMBL358098 | 0.72 | ALDH1A1 (0.46) | SMYD3AKT1CDK2 | |
| SCHEMBL4071612 | 0.71 | SMYD3 (0.60) | SMYD3AKT1CDK2 | |
| SCHEMBL29364540 | 0.70 | HDAC2 (0.63) | HDAC3HDAC1HDAC2NCOR2JAK2 | |
| SCHEMBL2949633 | 0.70 | HDAC2 (0.63) | HDAC3HDAC1HDAC2NCOR2JAK2 | |
| SCHEMBL9116112 | 0.69 | HDAC2 (0.58) | HDAC3HDAC1HDAC2NCOR2JAK2 | |
| SCHEMBL18553776 | 0.68 | P2RY14 (0.66) | HDAC3MAOAMAOB | |
| SCHEMBL27498643 | 0.67 | HDAC2 (0.59) | HDAC3HDAC1HDAC2NCOR2JAK2 | |
| SCHEMBL6809737 | 0.66 | KMT2A (0.60) | HDAC3HDAC1HDAC2NCOR2JAK2 |
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 |