Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 6/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | ABL1 | P00519 | 2/20 | 0.42 |
| ▸ | BCR | P11274 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2072344 | 0.86 | CNR2 (0.43) | CHRM4SMN1; SMN2GPR119LOXL2ALDH1A1 | |
| SCHEMBL2075212 | 0.85 | SMN1; SMN2 (0.47) | KITHDAC3ABL1BCRHDAC4 | |
| SCHEMBL2075182 | 0.84 | KIT (0.46) | KITHDAC3ABL1BCRHDAC4 | |
| SCHEMBL2073004 | 0.84 | KIT (0.49) | KITHDAC3ABL1BCRHDAC4 | |
| SCHEMBL2075221 | 0.83 | SMN1; SMN2 (0.51) | KITHDAC3ABL1BCRHDAC4 | |
| SCHEMBL2075163 | 0.83 | SMN1; SMN2 (0.51) | KITHDAC3ABL1BCRHDAC4 | |
| SCHEMBL2075539 | 0.81 | KIT (0.48) | KITHDAC3ABL1BCRHDAC4 | |
| SCHEMBL2073422 | 0.78 | KIT (0.45) | KITHDAC3ABL1BCRHDAC4 | |
| SCHEMBL2074482 | 0.78 | KIT (0.46) | KITHDAC3ABL1BCRHDAC4 | |
| SCHEMBL2074775 | 0.77 | HDAC3 (0.50) | KITHDAC3ABL1BCRHDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7902184-B2 | Piperazinyl pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-03-08 | — | — | US | disclosed |