Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL6636622 | 1.00 | CES1 (0.39) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL9152062 | 0.88 | ALDH1A1 (0.39) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL28284837 | 0.84 | CES2 (0.47) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL1720979 | 0.82 | CES1 (0.41) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL3361436 | 0.82 | CES1 (0.41) | CES1CES2HDAC3HDAC1HDAC2 | |
| Ammonia Solution, Strong SCHEMBL4395391 | 0.80 | CES1 (0.39) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL27671936 | 0.80 | CES1 (0.39) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL27686513 | 0.78 | CES2 (0.37) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL16056498 | 0.77 | CES1 (0.41) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL1720977 | 0.77 | CES1 (0.41) | CES1CES2HDAC3HDAC1HDAC2 |
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-1449835-A2 | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | PHARMACIA & UPJOHN COMPANY (US) | 2004-08-25 | — | — | EP | disclosed |