Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.52 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL21242765 | 0.87 | CA2 (0.50) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| Valproate Pivoxil SCHEMBL563026 | 0.85 | HDAC1 (0.41) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| SCHEMBL11866404 | 0.85 | CA2 (0.57) | HDAC1HDAC2TDP1HDAC7HDAC8 | |
| SCHEMBL9625495 | 0.84 | HDAC1 (0.60) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| SCHEMBL4726173 | 0.84 | HDAC1 (0.52) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| SCHEMBL7715675 | 0.84 | HDAC1 (0.44) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| SCHEMBL26635882 | 0.83 | HDAC1 (0.42) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| SCHEMBL2448748 | 0.82 | HDAC1 (0.58) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| SCHEMBL10339951 | 0.81 | HDAC1 (0.55) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| SCHEMBL358441 | 0.81 | HDAC1 (0.55) | HDAC1HDAC2CHRM1CHRM3ADRA1A |
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 6 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| 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 |