Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 5/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 5/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 4/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.35 |
| ▸ | PDE4A | P27815 | 3/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7366331 | 0.81 | KMT2A (0.43) | CYP1A2LMNAKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL7364378 | 0.77 | PDE4B (0.51) | CYP1A2LMNAKMT2AMEN1HRH3 | |
| SCHEMBL31703237 | 0.76 | CYP1A2 (0.56) | CYP1A2LMNAKMT2AMEN1AKR1B1 | |
| SCHEMBL1917602 | 0.72 | CYP1A2 (0.66) | CYP1A2LMNAKMT2AMEN1HRH3 | |
| SCHEMBL27773700 | 0.71 | CYP1A2 (0.46) | CYP1A2LMNAKMT2AMEN1HRH3 | |
| SCHEMBL1456606 | 0.70 | CYP1A2 (0.67) | CYP1A2LMNAKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL2886283 | 0.70 | — | — | |
| SCHEMBL11655359 | 0.66 | AKR1B1 (0.44) | CYP1A2LMNAKMT2AMEN1HRH3 | |
| SCHEMBL17581940 | 0.65 | BRD4 (0.38) | — | |
| SCHEMBL3452908 | 0.64 | LMNA (0.80) | CYP1A2LMNAKMT2AMEN1HRH3 |
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-1244669-A1 | PYRAZOLOPYRAZINES AND THEIR USE AS ADENOSINE ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001040230-A1 | PYRAZOLOPYRAZINES AND THEIR USE AS ADENOSINE ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-06-07 | — | — | WO | disclosed |