Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 11/20 | 0.68 |
| ▸ | CYP19A1 | P11511 | 10/20 | 0.68 |
| ▸ | CYP11B2 | P19099 | 10/20 | 0.68 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.60 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.60 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | QPCT | Q16769 | 1/20 | 0.57 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.57 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.57 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL12639833 | 0.84 | CYP19A1 (0.68) | CYP11B1CYP19A1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL1024261 | 0.82 | CYP11B1 (0.84) | CYP11B1CYP19A1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL171734 | 0.81 | CYP11B1 (1.00) | CYP11B1CYP19A1CYP11B2CYP2A6CYP2B6 | |
| Hydrochloric Acid SCHEMBL1775141 | 0.80 | CYP11B1 (0.81) | CYP11B1CYP19A1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL11474744 | 0.80 | CYP19A1 (0.61) | CYP11B1CYP19A1CYP11B2CYP2A6CYP2B6 | |
| Water SCHEMBL28218484 | 0.80 | CYP11B1 (0.96) | CYP11B1CYP19A1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL7302635 | 0.79 | CYP11B1 (0.60) | CYP11B1CYP19A1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL7302637 | 0.79 | CYP11B1 (0.60) | CYP11B1CYP19A1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL7302640 | 0.79 | CYP11B1 (0.60) | CYP11B1CYP19A1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL4492287 | 0.79 | CYP19A1 (0.75) | CYP11B1CYP19A1CYP11B2CYP2A6CYP2B6 |
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-3661941-B1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2022-12-14 | — | — | EP | disclosed |