Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | VDR | P11473 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11376130 | 0.90 | GAA (0.50) | GAACA12CA9CA1CA2 | |
| SCHEMBL27888435 | 0.80 | CA1 (0.43) | GAACA12CA9CA1CA2 | |
| SCHEMBL7644657 | 0.80 | GAA (0.41) | GAACA12CA9CA1CA2 | |
| SCHEMBL27547802 | 0.80 | GAA (0.48) | GAACA12CA9CA1CA2 | |
| SCHEMBL27877653 | 0.79 | ALDH1A1 (0.42) | GAACA12CA9CA1CA2 | |
| SCHEMBL28982333 | 0.78 | GAA (0.46) | GAACA12CA9CA1CA2 | |
| SCHEMBL3482784 | 0.78 | MMP2 (0.47) | GAACA12CA9CA1CA2 | |
| SCHEMBL10914263 | 0.78 | CA9 (0.48) | GAACA12CA9CA1CA2 | |
| SCHEMBL8673256 | 0.78 | MEN1 (0.57) | CA12CA9CA1CA2CA5A | |
| SCHEMBL30617236 | 0.78 | STAT3 (0.39) | GAACA12CA9CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5494912-A | 9-purinyl phosphonic acid derivitives for treating gout | MERRELL PHARMACEUTICALS INC. (US) | 1996-02-27 | — | — | US | disclosed |
| EP-0465297-B1 | 9-Purinyl phosphonic acid derivatives | MERRELL DOW PHARMA (US) | 1996-01-31 | — | — | EP | disclosed |
| EP-0465297-A1 | 9-Purinyl phosphonic acid derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1992-01-08 | — | — | EP | disclosed |