Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 2/20 | 0.35 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.34 |
| ▸ | IDH1 | O75874 | 5/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCND3 | P30281 | 1/20 | 0.33 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.33 |
| ▸ | PER2 | O15055 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16097701 | 0.80 | TP53 (0.34) | TP53MDM2RPS6KA5TRPV1IDH1 | |
| SCHEMBL16096787 | 0.78 | RXRA (0.39) | ABL1CCNA2CDK2 | |
| SCHEMBL16098327 | 0.78 | RXRA (0.39) | ABL1CCNA2CDK2 | |
| SCHEMBL20956364 | 0.78 | CDK4 (0.47) | ROCK1TP53MDM2RPS6KA5TRPV1 | |
| SCHEMBL19692753 | 0.75 | IDH1 (0.45) | IDH1 | |
| SCHEMBL19192530 | 0.75 | IDH1 (0.45) | IDH1 | |
| SCHEMBL19692754 | 0.75 | IDH1 (0.45) | IDH1 | |
| SCHEMBL9893029 | 0.75 | GAA (0.44) | ABL1CCNA2CDK2 | |
| SCHEMBL16480456 | 0.74 | CD274 (0.45) | — | |
| SCHEMBL16097518 | 0.72 | IDH1 (0.64) | 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 |