Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | CCKBR | P32239 | 1/20 | 0.35 |
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.35 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.35 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.35 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29740439 | 0.78 | BCAT2 (0.47) | BRD4BAZ2BBAZ2APARP1LMNA | |
| SCHEMBL28021807 | 0.73 | BCAT2 (0.59) | CA12CA1CA2CA9CA14 | |
| SCHEMBL30323273 | 0.71 | BRD4 (0.49) | BRD4SCN9ABACE1 | |
| SCHEMBL28057748 | 0.70 | ERN1 (0.49) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28057767 | 0.69 | MKNK1 (0.49) | CA12CA1CA2CA9CA14 | |
| SCHEMBL25436213 | 0.69 | ADORA2B (0.38) | — | |
| SCHEMBL5225459 | 0.68 | CDK1 (0.38) | MAP2K2MAP2K1CA12CA1CA2 | |
| SCHEMBL27597079 | 0.67 | FABP7 (0.40) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL3841296 | 0.66 | CA12 (0.48) | CA12CA1CA2CA9CA14 | |
| SCHEMBL1568517 | 0.66 | PARP1 (0.53) | CA12CA1CA2CA9CA14 |
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-1828185-A2 | 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS | SmithKline Beecham Corporation (US) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006068826-A2 | 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-06-29 | — | — | WO | disclosed |