Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 6/20 | 0.35 |
| ▸ | CDK1 | P06493 | 6/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 6/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | PDE9A | O76083 | 1/20 | 0.34 |
| ▸ | PDE1A | P54750 | 1/20 | 0.34 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.32 |
| ▸ | CDK2 | P24941 | 2/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CDK7 | P50613 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | CCNH | P51946 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3723181 | 0.83 | CYP1A2 (0.37) | CYP1A2CYP2C19CCNB2CDK1CCNB1 | |
| SCHEMBL7260738 | 0.69 | — | — | |
| SCHEMBL4039336 | 0.64 | POLB (0.30) | — | |
| SCHEMBL22609431 | 0.60 | YTHDC1 (0.39) | — | |
| SCHEMBL25917562 | 0.59 | CCNB2 (0.42) | CYP1A2CYP2C19CCNB2CDK1CCNB1 | |
| SCHEMBL27140486 | 0.59 | SMPD3 (0.34) | CCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL9124822 | 0.57 | ALDH1A1 (0.32) | — | |
| SCHEMBL12465346 | 0.57 | DYRK1A (0.48) | — | |
| SCHEMBL13039990 | 0.57 | — | — | |
| SCHEMBL11100217 | 0.57 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003082872-A1 | NOVEL PYRAZOLO[4,3-D]PYRIMIDINES, PROCESSES FOR THEIR PREPARATION AND METHODS FOR THERAPY | USTAV EXPERIMENTALNI BOTANIKY AV CR (INSTITUTE OF EXPERIMENTAL BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC) (CZ) | 2003-10-09 | — | — | WO | disclosed |