Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25A | P30304 | 4/20 | 0.41 |
| ▸ | CDC25B | P30305 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.33 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL13765012 | 0.85 | CYP17A1 (0.44) | CDC25ACDC25BCYP17A1GPBAR1BACE1 | |
| SCHEMBL9070756 | 0.85 | CYP17A1 (0.44) | CDC25ACDC25BCYP17A1GPBAR1BACE1 | |
| SCHEMBL10125289 | 0.85 | CYP17A1 (0.44) | CDC25ACDC25BCYP17A1GPBAR1BACE1 | |
| SCHEMBL14501680 | 0.81 | CDC25A (0.42) | CDC25ACDC25BCYP17A1GPBAR1BACE1 | |
| SCHEMBL7764768 | 0.79 | CDC25A (0.40) | CDC25ACDC25BCYP17A1GPBAR1BACE1 | |
| SCHEMBL7765817 | 0.79 | CDC25A (0.40) | CDC25ACDC25BCYP17A1GPBAR1BACE1 | |
| SCHEMBL12294016 | 0.79 | CDC25A (0.41) | CDC25ACDC25BCYP17A1GPBAR1 | |
| SCHEMBL9975515 | 0.79 | CDC25A (0.41) | CDC25ACDC25BCYP17A1GPBAR1 | |
| SCHEMBL10152618 | 0.79 | CDC25A (0.41) | CDC25ACDC25BCYP17A1GPBAR1 | |
| SCHEMBL13769314 | 0.79 | CDC25A (0.41) | CDC25ACDC25BCYP17A1GPBAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0663902-B1 | 25-CARBOXYLIC ACID DERIVATIVES IN THE VITAMIN D SERIES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN THE MANUFACTURE OF MEDICINES | SCHERING AG (DE) | 1998-03-11 | — | — | EP | disclosed |
| US-5583125-A | SKIN DISORDERS, ANTITUMOR AGENTS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-12-10 | — | — | US | disclosed |