Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.39 |
| ▸ | CCND3 | P30281 | 4/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.38 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13189035 | 0.86 | HDAC1 (0.42) | CCND3HDAC3HDAC4CDK6HDAC1 | |
| SCHEMBL3718311 | 0.81 | RXRA (0.42) | CCND3HDAC3HDAC4CDK6HDAC1 | |
| SCHEMBL27269971 | 0.74 | ALOX5 (0.45) | CYP1A2CYP4F2CYP4A11SMN1; SMN2CYP3A4 | |
| SCHEMBL14624038 | 0.72 | HDAC1 (0.65) | CYP4F2CYP4A11HDAC3HDAC4HDAC1 | |
| SCHEMBL4335149 | 0.72 | HDAC1 (0.65) | CYP4F2CYP4A11HDAC3HDAC4HDAC1 | |
| SCHEMBL13827907 | 0.71 | CDK2 (0.44) | CCND3CCNE2CCNE1CDK2CCNB2 | |
| SCHEMBL941980 | 0.68 | CYP4F2 (0.49) | CYP1A2CYP4F2CYP4A11SMN1; SMN2CYP3A4 | |
| SCHEMBL12747099 | 0.68 | CNR2 (0.38) | CYP1A2CYP4F2CYP4A11CCND3SMN1; SMN2 | |
| SCHEMBL31141593 | 0.68 | ALOX5 (0.47) | CYP1A2CYP4F2CYP4A11SMN1; SMN2CYP3A4 | |
| SCHEMBL10268216 | 0.68 | CDK2 (0.46) | CCND3CCNE2CCNE1CDK2CCNB2 |
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-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |