Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30701837 | 0.91 | LMNA (0.35) | NOS3NOS1NOS2SIGMAR1LMNA | |
| SCHEMBL29973340 | 0.84 | KEAP1 (0.40) | SIGMAR1LMNAUSP2ALDH1A1MAPT | |
| SCHEMBL17580422 | 0.79 | — | — | |
| SCHEMBL29181594 | 0.77 | — | — | |
| SCHEMBL3442415 | 0.71 | NOS3 (0.33) | NOS3NOS1NOS2HTR7SIGMAR1 | |
| SCHEMBL20876924 | 0.69 | — | — | |
| SCHEMBL29973217 | 0.64 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL28959117 | 0.62 | — | — | |
| Bromide SCHEMBL30537821 | 0.61 | NOS3 (0.31) | NOS3NOS2 | |
| SCHEMBL20234244 | 0.61 | PAOX (0.60) | SIGMAR1USP2ALDH1A1HPGDMAPT |
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 |