Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1924022 | 0.80 | CYP2A6 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2GSK3B | |
| SCHEMBL18292364 | 0.76 | IDO1 (0.49) | CYP2A6CYP3A4ALDH1A1CYP1A2GSK3B | |
| SCHEMBL23329265 | 0.76 | MKNK1 (0.49) | CYP2A6CYP3A4ALDH1A1CYP1A2GSK3B | |
| SCHEMBL30384675 | 0.75 | METAP2 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2GSK3B | |
| SCHEMBL28080860 | 0.75 | CYP2A6 (0.44) | CYP2A6CYP3A4ALDH1A1CYP1A2GSK3B | |
| SCHEMBL17670258 | 0.75 | METAP2 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2GSK3B | |
| SCHEMBL952491 | 0.75 | MKNK1 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2GSK3B | |
| SCHEMBL7780720 | 0.74 | PTGS2 (0.68) | PTGS2 | |
| SCHEMBL28019369 | 0.71 | DYRK1A (0.46) | CYP2A6CYP3A4ALDH1A1CYP1A2GSK3B | |
| SCHEMBL7772942 | 0.70 | CA2 (0.62) | GSK3BDYRK1APTGS2 |
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-1993552-A2 | USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS | Novartis AG (CH) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007103432-A2 | USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS | NOVARTIS AG (CH) | 2007-09-13 | — | — | WO | disclosed |