Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6514054 | 0.85 | TSHR (0.36) | TSHRCYP3A4ALDH1A1GPR35MAPK1 | |
| SCHEMBL8159792 | 0.85 | ALDH1A1 (0.55) | TSHRCYP3A4ALDH1A1GPR35MAPK1 | |
| SCHEMBL6512352 | 0.83 | TSHR (0.35) | TSHRCYP3A4ALDH1A1GPR35MAPK1 | |
| SCHEMBL6512944 | 0.83 | TSHR (0.35) | TSHRCYP3A4ALDH1A1GPR35HSD17B10 | |
| SCHEMBL6512930 | 0.83 | TSHR (0.35) | TSHRCYP3A4ALDH1A1GPR35MAPK1 | |
| Zinc Ion SCHEMBL6512360 | 0.83 | TSHR (0.35) | TSHRCYP3A4ALDH1A1GPR35MAPK1 | |
| SCHEMBL6512939 | 0.83 | TSHR (0.35) | TSHRCYP3A4ALDH1A1GPR35MAPK1 | |
| SCHEMBL306096 | 0.78 | TSHR (0.67) | TSHRCYP3A4ALDH1A1GPR35MAPK1 | |
| SCHEMBL6523809 | 0.78 | TSHR (0.67) | TSHRCYP3A4ALDH1A1GPR35MAPK1 | |
| SCHEMBL6517417 | 0.77 | TSHR (0.64) | TSHRCYP3A4ALDH1A1GPR35MAPK1 |
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-0576603-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN | MERCK & CO. INC. (US) | 1994-01-05 | — | — | EP | disclosed |