Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 4/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.40 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 3/20 | 0.31 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.31 |
| ▸ | BLM | P54132 | 2/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4833334 | 0.85 | HDAC3 (0.48) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL28176402 | 0.84 | GPR84 (0.48) | CES2CES1TSHROR51E2ALDH1A1 | |
| SCHEMBL297310 | 0.81 | FFAR3 (0.43) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL297311 | 0.81 | FFAR3 (0.43) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL28738389 | 0.79 | HDAC3 (0.42) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL30548785 | 0.77 | CES1 (0.44) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL3259747 | 0.76 | AKR1B1 (0.50) | CES2CES1TSHROR51E2ALDH1A1 | |
| SCHEMBL26105279 | 0.74 | GPR84 (0.52) | CES2CES1TSHROR51E2ALDH1A1 | |
| SCHEMBL30548808 | 0.74 | GPR84 (0.52) | CES2CES1TSHROR51E2ALDH1A1 | |
| SCHEMBL22828257 | 0.73 | SQLE (0.31) | — |
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-3960860-A2 | KETOHEXOKINASE (KHK) IRNA COMPOSITIONS AND METHODS OF USE THEREOF | Alnylam Pharmaceuticals, Inc. (US) | 2022-03-02 | — | — | EP | disclosed |