Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.36 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.35 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL22268157 | 0.80 | — | — | |
| SCHEMBL9493661 | 0.78 | GRIK1 (0.50) | TSHRCES2CES1ALDH1A1HDAC3 | |
| SCHEMBL691600 | 0.78 | GRIK1 (0.50) | TSHRCES2CES1ALDH1A1HDAC3 | |
| SCHEMBL25932051 | 0.78 | CES1 (0.52) | TSHRCES2CES1ALDH1A1HDAC3 | |
| SCHEMBL11243324 | 0.78 | CES1 (0.39) | TSHRCES2CES1ALDH1A1HDAC3 | |
| SCHEMBL1003142 | 0.78 | GRIK1 (0.50) | TSHRCES2CES1ALDH1A1HDAC3 | |
| SCHEMBL11243321 | 0.78 | CES1 (0.39) | TSHRCES2CES1ALDH1A1HDAC3 | |
| SCHEMBL11288817 | 0.76 | GRIK1 (0.39) | TSHRCES2CES1ALDH1A1TP53 | |
| SCHEMBL11288814 | 0.76 | GRIK1 (0.39) | TSHRCES2CES1ALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL9624870 | 0.76 | GRIK1 (0.48) | TSHRCES2CES1ALDH1A1HDAC3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5162573-A | Anticonvulsant, antiepileptic agent | CHIESI FARMACEUTICI S.P.A. (IT) | 1992-11-10 | — | — | US | disclosed |
| EP-0250997-B1 | VALPROIC AND (E)-2-VALPROENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREFROM | CHIESI FARMACEUTICI S.p.A. (IT) | 1992-04-15 | — | — | EP | disclosed |
| EP-0250997-A2 | Valproic and (E)-2-valproenoic acid derivatives, processes for the preparation thereof and pharmaceutical compositions therefrom | CHIESI FARMACEUTICI S.p.A. (IT) | 1988-01-07 | — | — | EP | disclosed |