Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL369158 | 0.73 | CYP2A6 (0.38) | CYP2A6LMNAMEN1MAPTKMT2A | |
| SCHEMBL369929 | 0.71 | DAO (0.39) | JAK2TYK2MEN1MAPTKMT2A | |
| SCHEMBL31377751 | 0.70 | CYP2A6 (0.49) | CYP2A6JAK2TYK2LMNAHIPK2 | |
| SCHEMBL369616 | 0.69 | CYP2A6 (0.47) | CYP2A6 | |
| SCHEMBL18070603 | 0.66 | ALDH1A1 (0.41) | CYP2A6GAAMEN1MAPTKMT2A | |
| SCHEMBL5303261 | 0.63 | ALDH1A1 (0.34) | GAAMEN1KMT2A | |
| Formic Acid SCHEMBL31745034 | 0.62 | NR4A2 (0.39) | — | |
| SCHEMBL31377814 | 0.62 | CYP2A6 (0.47) | CYP2A6 | |
| SCHEMBL20860726 | 0.62 | CYP2A6 (0.47) | CYP2A6LMNAGAAMAPT | |
| SCHEMBL5212066 | 0.62 | ALDH1A1 (0.48) | MEN1MAPTKMT2A |
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 |