Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.48 |
| ▸ | PIM1 | P11309 | 3/20 | 0.48 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.48 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | PRKACA | P17612 | 1/20 | 0.48 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.47 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4703487 | 0.94 | MEN1 (0.53) | MEN1KMT2AHDAC1ADORA2APIM1 | |
| SCHEMBL3656028 | 0.80 | ROCK2 (0.60) | MEN1KMT2AADORA2APIM1PIM3 | |
| SCHEMBL15650217 | 0.79 | ADORA2A (0.57) | MEN1KMT2AADORA2AAURKAHSP90AA1 | |
| SCHEMBL3715554 | 0.78 | PIM1 (0.46) | ADORA2APIM1PIM3AURKAHSP90AA1 | |
| SCHEMBL4704184 | 0.76 | HSP90AA1 (0.53) | MEN1KMT2AADORA2ATNK2AURKA | |
| SCHEMBL21853998 | 0.75 | MEN1 (0.47) | MEN1KMT2AHDAC1ADORA2AAURKA | |
| SCHEMBL29904793 | 0.74 | CHRNB2 (0.63) | CHRNB2CHRNA4 | |
| SCHEMBL3656027 | 0.74 | CDC7 (0.50) | PIM1PIM3PIM2MAP4K4CLK4 | |
| SCHEMBL4705549 | 0.73 | ALDH1A1 (0.52) | MEN1KMT2AHDAC1MAOBMAP4K4 | |
| SCHEMBL1641682 | 0.73 | CHRNB2 (0.65) | CHRNB2CHRNA4NOS1NOS2MAOB |
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 |