Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3476218 | 0.84 | ADORA2A (0.47) | SMN1; SMN2GAAPKMCYP11B2CYP11B1 | |
| SCHEMBL6661754 | 0.84 | ADORA2A (0.56) | METSMN1; SMN2HTTMAPTCYP11B2 | |
| SCHEMBL29434725 | 0.81 | ALDH1A1 (0.52) | METSMN1; SMN2GAAHPGDMAPT | |
| SCHEMBL22533664 | 0.81 | HDAC6 (0.38) | METSMN1; SMN2HTTCYP11B2CYP11B1 | |
| SCHEMBL29424810 | 0.81 | HDAC6 (0.38) | METSMN1; SMN2HTTCYP11B2CYP11B1 | |
| SCHEMBL20187539 | 0.81 | ALDH1A1 (0.52) | METSMN1; SMN2GAAHPGDMAPT | |
| SCHEMBL27441624 | 0.81 | HDAC6 (0.38) | METSMN1; SMN2HTTCYP11B2CYP11B1 | |
| SCHEMBL6662357 | 0.80 | MET (0.47) | METSMN1; SMN2HTTGAAHPGD | |
| Thiophene SCHEMBL28288723 | 0.77 | ADORA2A (0.41) | SMN1; SMN2GAAPKMCYP11B2CYP11B1 | |
| SCHEMBL6659705 | 0.76 | HDAC6 (0.62) | HDAC6SLC29A1ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1444982-A1 | The use of purine derivatives as selective kinase inhibitors | MERCKLE GMBH (DE) | 2004-08-11 | — | — | EP | disclosed |