Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 3/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.38 |
| ▸ | CDK2 | P24941 | 3/20 | 0.38 |
| ▸ | 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 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 3/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28329663 | 0.78 | BCAT2 (0.47) | CDK1CCNB1CCNA2CDK2MEN1 | |
| SCHEMBL28021807 | 0.73 | BCAT2 (0.59) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28057748 | 0.70 | ERN1 (0.49) | CA12CA1CA2CA9CA14 | |
| SCHEMBL11364558 | 0.70 | GABRA5 (0.44) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28057767 | 0.69 | MKNK1 (0.49) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28046033 | 0.68 | ERN1 (0.52) | CDK1CCNB1CCNA2CDK2PARP1 | |
| SCHEMBL14784958 | 0.68 | PTGER2 (0.46) | CDK1CCNB1CCNA2CDK2CA1 | |
| SCHEMBL31028148 | 0.68 | SCN9A (0.46) | — | |
| SCHEMBL5227614 | 0.68 | BRD4 (0.37) | CA12CA1CA2CA9CA14 | |
| SCHEMBL29614030 | 0.67 | TRPA1 (0.40) | CDK1CCNB1CCNA2CDK2MEN1 |
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 |