Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | VDR | P11473 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16344743 | 0.87 | TLR9 (0.45) | TLR9GAAGBA1CA1CA2 | |
| SCHEMBL2342945 | 0.86 | GAA (0.52) | TLR9GAAGBA1CA1CA2 | |
| SCHEMBL5557903 | 0.86 | GAA (0.52) | TLR9GAAGBA1CA1CA2 | |
| SCHEMBL3521316 | 0.83 | GAA (0.45) | TLR9GAAGBA1CA1CA2 | |
| SCHEMBL1629581 | 0.82 | TLR9 (0.48) | TLR9GAAGBA1CA1CA2 | |
| SCHEMBL14778368 | 0.82 | TLR9 (0.48) | TLR9GAAGBA1CA1CA2 | |
| SCHEMBL14779302 | 0.81 | TLR9 (0.47) | TLR9GAAGBA1CA1CA2 | |
| SCHEMBL4969119 | 0.81 | GAA (0.46) | TLR9GAAGBA1CA1CA2 | |
| SCHEMBL890642 | 0.80 | GAA (0.50) | TLR9GAAGBA1CA1CA2 | |
| SCHEMBL143705 | 0.80 | GAA (0.50) | TLR9GAAGBA1CA1CA2 |
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-2668162-A1 | SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES | Novartis AG (CH) | 2013-12-04 | — | — | EP | disclosed |
| WO-2012101062-A1 | SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |