Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | LOX | P28300 | 1/20 | 0.30 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.30 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL18725544 | 0.92 | TSHR (0.50) | TSHRALDH1A1TDP1CYP3A4CA2 | |
| SCHEMBL14536237 | 0.87 | TSHR (0.52) | TSHRALDH1A1TDP1CYP3A4CA2 | |
| SCHEMBL4082200 | 0.87 | TSHR (0.59) | TSHRALDH1A1TDP1CYP3A4CA2 | |
| SCHEMBL4685011 | 0.86 | — | — | |
| SCHEMBL17215260 | 0.84 | TSHR (0.42) | TSHRALDH1A1TDP1CYP3A4CA2 | |
| SCHEMBL17935725 | 0.82 | TSHR (0.47) | TSHRALDH1A1TDP1CYP3A4LOX | |
| SCHEMBL21900440 | 0.80 | TSHR (0.56) | TSHRALDH1A1TDP1CYP3A4CA2 | |
| SCHEMBL6814446 | 0.80 | TSHR (0.48) | TSHRALDH1A1TDP1CYP3A4LOX | |
| SCHEMBL20053307 | 0.79 | TSHR (0.62) | TSHRALDH1A1TDP1CYP3A4 | |
| SCHEMBL6050346 | 0.79 | TSHR (0.54) | TSHRALDH1A1TDP1CYP3A4CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4428959-A | 4-Alkylsubstituted-3-hydroxy-3-pyrroline-2,5-dione inhibitors of glycolic acid oxidase | MERCK & CO., INC. (US) | 1984-01-31 | — | — | US | disclosed |
| EP-0037991-B1 | 4-ALKYLSUBSTITUTED-3-HYDROXY-2-PYRROLINE-2,5-DIONE COMPOUNDS FOR USE IN THE PREVENTION AND TREATMENT OF KIDNEY AND BLADDER STONES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM | MERCK & CO. INC. (US) | 1983-07-20 | — | — | EP | disclosed |