Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.30 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.30 |
| ▸ | CCND1 | P24385 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | RGS12 | O14924 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | APEX1 | P27695 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.30 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13610505 | 0.88 | PARP1 (0.31) | PARP1 | |
| SCHEMBL13610508 | 0.87 | PARP1 (0.31) | PARP1 | |
| SCHEMBL17225996 | 0.83 | PARP1 (0.41) | PARP1CDK4CCNA2CCND1CDK2 | |
| SCHEMBL13606437 | 0.81 | CHEK1 (0.30) | — | |
| SCHEMBL12561982 | 0.80 | — | — | |
| SCHEMBL13610173 | 0.79 | PARP1 (0.33) | PARP1CDK4CCNA2CCND1CDK2 | |
| SCHEMBL17225997 | 0.79 | PARP1 (0.40) | PARP1CDK4CCNA2CCND1CDK2 | |
| SCHEMBL13606571 | 0.78 | — | — | |
| SCHEMBL13606621 | 0.77 | PARP1 (0.32) | PARP1CDK4CCNA2CCND1CDK2 | |
| SCHEMBL12537298 | 0.76 | — | — |
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-2009144302-A1 | SEMICONDUCTOR MATERIALS AND METHODS OF PREPARATION AND USE THEREOF | BASF SE (DE) | 2009-12-03 | — | — | WO | disclosed |