Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2922495 | 0.81 | CYP2A6 (0.55) | GRM5CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL30694380 | 0.81 | CYP2A6 (0.55) | GRM5CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL29934042 | 0.79 | GRM5 (0.40) | GRM5CYP2A6 | |
| SCHEMBL28884696 | 0.79 | GRM5 (0.40) | GRM5CYP2A6 | |
| SCHEMBL3346852 | 0.77 | CYP11B2 (0.47) | GRM5CYP11B2CYP11B1 | |
| SCHEMBL31510379 | 0.77 | GRM5 (0.55) | GRM5CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL22531723 | 0.76 | GRM5 (0.38) | GRM5CYP2A6 | |
| SCHEMBL1690481 | 0.76 | CYP11B2 (0.68) | GRM5CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4855910 | 0.75 | GRM5 (0.60) | GRM5CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3348429 | 0.75 | GRM5 (0.44) | GRM5 |
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-2010063487-A1 | PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2010-06-10 | — | — | WO | disclosed |