Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | DGKA | P23743 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL28489021 | 0.87 | HCAR2 (0.38) | TSHRDGKAALDH1A1 | |
| SCHEMBL22588817 | 0.87 | HCAR2 (0.38) | TSHRDGKAALDH1A1 | |
| SCHEMBL181698 | 0.86 | DGKA (0.44) | TSHRDGKATHRBALDH1A1 | |
| SCHEMBL8843130 | 0.86 | ALDH1A1 (0.44) | TSHRDGKATHRBALDH1A1 | |
| SCHEMBL9625073 | 0.86 | ALDH1A1 (0.44) | TSHRDGKATHRBALDH1A1 | |
| SCHEMBL3425071 | 0.84 | THRB (0.37) | TSHRDGKATHRBALDH1A1 | |
| SCHEMBL21056424 | 0.84 | THRB (0.49) | TSHRDGKATHRBALDH1A1 | |
| SCHEMBL181838 | 0.84 | NAAA (0.43) | DGKATHRBALDH1A1 | |
| SCHEMBL36447 | 0.84 | MGLL (0.37) | TSHRALDH1A1 | |
| SCHEMBL9624952 | 0.83 | ALDH1A1 (0.43) | DGKATHRBALDH1A1 |
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-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 |