Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16096787 | 1.00 | RXRA (0.39) | RXRARXRBRXRGSLC6A2SLC6A4 | |
| SCHEMBL16098324 | 0.78 | ROCK1 (0.37) | ABL1CCNA2CDK2 | |
| SCHEMBL9893029 | 0.70 | GAA (0.44) | ABL1NOTUMCCNA2CDK2 | |
| SCHEMBL16914206 | 0.70 | ABL1 (0.36) | ABL1MAP4K1HRH3 | |
| SCHEMBL19402185 | 0.69 | KDM4E (0.32) | LMNACYP17A1 | |
| SCHEMBL20897051 | 0.69 | KDM4E (0.32) | LMNACYP17A1 | |
| SCHEMBL19402040 | 0.68 | IDH1 (0.31) | — | |
| SCHEMBL20676949 | 0.68 | IDH1 (0.31) | — | |
| SCHEMBL9892979 | 0.67 | GPR119 (0.35) | SLC6A2SLC6A4SLC6A3PARP1ABL1 | |
| SCHEMBL16097669 | 0.67 | CNR2 (0.40) | RXRARXRBRXRGPARP1LMNA |
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-2014147586-A1 | 1-(2-(ETHYLAMINO)PYRIMIDIN-4-YL)PYRROLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH | NOVARTIS AG (CH) | 2014-09-25 | — | — | WO | disclosed |