Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | IAPP | P10997 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1782214 | 0.79 | — | — | |
| SCHEMBL10014775 | 0.77 | CES2 (0.41) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL1784812 | 0.75 | CES1 (0.37) | CES2CES1ALDH1A1 | |
| SCHEMBL8897573 | 0.73 | CES2 (0.38) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL8897262 | 0.73 | ALDH1A1 (0.38) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL1782079 | 0.73 | FDPS (0.45) | CES2CES1 | |
| Acetone SCHEMBL4590814 | 0.72 | CES1 (0.53) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL5596135 | 0.72 | TDP1 (0.36) | ALDH1A1GAA | |
| SCHEMBL25174 | 0.72 | — | — | |
| SCHEMBL8119186 | 0.72 | CES2 (0.60) | CES2CES1HDAC3HDAC1HDAC2 |
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-3643709-B1 | ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | KANGPU BIOPHARMACEUTICALS LTD (CN) | 2021-10-20 | — | — | EP | disclosed |