Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | PIM1 | P11309 | 3/20 | 0.51 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.48 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | PRKACA | P17612 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | LSS | P48449 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5225822 | 0.94 | MEN1 (0.54) | MEN1KMT2APIM1PIM3PIM2 | |
| SCHEMBL15650217 | 0.78 | ADORA2A (0.57) | MEN1KMT2AHSP90AA1AURKAPRKACA | |
| SCHEMBL13675520 | 0.75 | HDAC1 (0.50) | MEN1KMT2AHDAC1 | |
| SCHEMBL10679310 | 0.75 | LSS (0.73) | KMT2AMAOBLSSMAOAKDM4E | |
| SCHEMBL4704184 | 0.75 | HSP90AA1 (0.53) | MEN1KMT2AHSP90AA1AURKAPRKACA | |
| SCHEMBL4705549 | 0.75 | ALDH1A1 (0.52) | MEN1KMT2AHDAC1MAOBMAOA | |
| SCHEMBL21853998 | 0.74 | MEN1 (0.47) | MEN1KMT2AHDAC1HSP90AA1AURKA | |
| SCHEMBL3656028 | 0.73 | ROCK2 (0.60) | MEN1KMT2APIM1PIM3PIM2 | |
| SCHEMBL188707 | 0.73 | TSHR (0.63) | KMT2AMAOBLSSKDM4EALDH1A1 | |
| SCHEMBL8264819 | 0.73 | MAOB (0.58) | KMT2AMAOBLSSMAOAKDM4E |
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-1971606-A2 | 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS | SmithKline Beecham Corporation (US) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007067506-A2 | 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-06-14 | — | — | WO | disclosed |