Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 10/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | IDH1 | O75874 | 5/20 | 0.33 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16098324 | 0.80 | ROCK1 (0.37) | TP53MDM2TRPV1IDH1RPS6KA5 | |
| SCHEMBL20361318 | 0.70 | TRPV1 (0.44) | TRPV1 | |
| SCHEMBL14846751 | 0.70 | IDH1 (0.58) | IDH1 | |
| SCHEMBL19179094 | 0.70 | IDH1 (0.58) | IDH1 | |
| SCHEMBL16043882 | 0.68 | IDH1 (0.48) | IDH1 | |
| SCHEMBL20956364 | 0.67 | CDK4 (0.47) | TP53MDM2TRPV1IDH1RPS6KA5 | |
| SCHEMBL20991818 | 0.65 | GPR119 (0.38) | TP53MDM2TRPV1 | |
| SCHEMBL20322781 | 0.65 | IDH1 (0.41) | IDH1 | |
| SCHEMBL20677010 | 0.65 | TRPV1 (0.36) | TP53MDM2TRPV1IDH1RPS6KA5 | |
| SCHEMBL19192530 | 0.65 | IDH1 (0.45) | IDH1 |
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 |