Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 4/20 | 0.51 |
| ▸ | RXRB | P28702 | 4/20 | 0.51 |
| ▸ | RXRG | P48443 | 4/20 | 0.51 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.48 |
| ▸ | CDK2 | P24941 | 10/20 | 0.42 |
| ▸ | CCNE2 | O96020 | 9/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 9/20 | 0.42 |
| ▸ | CDK4 | P11802 | 4/20 | 0.42 |
| ▸ | CCND1 | P24385 | 4/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 4/20 | 0.42 |
| ▸ | CDK1 | P06493 | 4/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 4/20 | 0.42 |
| ▸ | CCND3 | P30281 | 4/20 | 0.42 |
| ▸ | CCND2 | P30279 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.40 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3718311 | 0.90 | RXRA (0.42) | RXRARXRBRXRGNR1H4CDK2 | |
| SCHEMBL4632525 | 0.79 | RXRA (0.54) | RXRARXRBRXRGNR1H4CDK2 | |
| SCHEMBL13189035 | 0.76 | HDAC1 (0.42) | CDK2CCNE2CCNE1CDK4CCND1 | |
| SCHEMBL13827907 | 0.76 | CDK2 (0.44) | CDK2CCNE2CCNE1CDK4CCND1 | |
| SCHEMBL3467447 | 0.74 | CDK2 (0.43) | CDK2CCNE2CCNE1CDK4CCND1 | |
| SCHEMBL1786450 | 0.74 | CDK2 (0.46) | CDK2CCNE2CCNE1CDK4CCND1 | |
| SCHEMBL21325489 | 0.74 | CDK2 (0.43) | CDK2CCNE2CCNE1CDK4CCND1 | |
| SCHEMBL3715500 | 0.74 | CYP1A2 (0.39) | CDK2CCNE2CCNE1CDK4CCND1 | |
| SCHEMBL17328441 | 0.74 | CDK2 (0.43) | CDK2CCNE2CCNE1CDK4CCND1 | |
| SCHEMBL5724749 | 0.74 | CDK2 (0.45) | CDK2CCNE2CCNE1CDK4CCND1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |
| WO-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |