Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | IGFBP3 | P17936 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14607621 | 0.86 | HDAC4 (0.49) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL10331388 | 0.82 | HDAC4 (0.40) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL750944 | 0.82 | HDAC4 (0.40) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL10331387 | 0.82 | HDAC4 (0.40) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL752942 | 0.82 | HDAC4 (0.40) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL2183822 | 0.81 | PTGS1 (0.59) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL8136361 | 0.81 | PTGS1 (0.59) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL8136359 | 0.81 | PTGS1 (0.59) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL22088584 | 0.81 | CES2 (0.42) | CES2CES1MEN1KMT2AKDM4E | |
| SCHEMBL30963033 | 0.80 | HDAC4 (0.50) | HDAC4HDAC7HDAC5CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3027593-B1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2020-06-10 | — | — | EP | disclosed |