Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 6/20 | 0.39 |
| ▸ | PIM1 | P11309 | 3/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6390136 | 0.80 | ALDH1A1 (0.48) | CYP17A1CYP1A2RAB9ANPC1TP53 | |
| SCHEMBL1269006 | 0.78 | CYP17A1 (0.49) | CYP17A1CYP1A2IRAK4GSK3BFFAR4 | |
| SCHEMBL6237563 | 0.76 | GSK3B (0.43) | IRAK4GSK3BPIM1PIM3PIM2 | |
| SCHEMBL6277293 | 0.71 | XDH (0.43) | RAB9ANPC1TP53KDM4EALDH1A1 | |
| SCHEMBL29833912 | 0.70 | IRAK4 (0.53) | CYP17A1CYP1A2IRAK4GSK3BFFAR4 | |
| SCHEMBL6071614 | 0.69 | ALDH1A1 (0.68) | CYP17A1GSK3BRAB9ANPC1TP53 | |
| SCHEMBL11062025 | 0.68 | CYP17A1 (0.50) | CYP17A1CYP1A2IRAK4GSK3BFFAR4 | |
| SCHEMBL12075537 | 0.67 | IRAK4 (0.57) | CYP17A1CYP1A2IRAK4FFAR4PIM1 | |
| SCHEMBL31020506 | 0.67 | IRAK4 (0.57) | CYP17A1CYP1A2IRAK4FFAR4PIM1 | |
| SCHEMBL15404558 | 0.67 | CYP17A1 (0.52) | CYP17A1CYP1A2IRAK4GSK3BFFAR4 |
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-1523314-A2 | PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS | SmithKline Beecham Corporation (US) | 2005-04-20 | — | — | EP | disclosed |
| WO-2004009597-A2 | PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-01-29 | — | — | WO | disclosed |