Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 11/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | QPCT | Q16769 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL57725 | 0.87 | CYP19A1 (0.40) | CYP19A1CYP17A1NFKB1QPCTHSD17B10 | |
| SCHEMBL28798620 | 0.82 | CYP19A1 (0.40) | CYP19A1CYP17A1NFKB1QPCTHSD17B10 | |
| SCHEMBL7268446 | 0.77 | CYP19A1 (0.38) | CYP19A1CYP17A1NFKB1QPCTHSD17B10 | |
| SCHEMBL7739960 | 0.76 | CYP19A1 (0.40) | CYP19A1CYP17A1NFKB1QPCTHSD17B10 | |
| SCHEMBL16700622 | 0.74 | CYP17A1 (0.41) | CYP19A1CYP17A1NFKB1QPCTHSD17B10 | |
| SCHEMBL9791620 | 0.74 | CYP19A1 (0.39) | CYP19A1CYP17A1NFKB1QPCTHSD17B10 | |
| SCHEMBL7712264 | 0.70 | CYP19A1 (0.39) | CYP19A1CYP17A1NFKB1QPCTHSD17B10 | |
| SCHEMBL2656737 | 0.69 | CYP19A1 (0.33) | CYP19A1 | |
| SCHEMBL1406898 | 0.69 | CYP19A1 (0.47) | CYP19A1CYP17A1NFKB1QPCTHSD17B10 | |
| SCHEMBL28269017 | 0.67 | TBXAS1 (0.45) | CYP19A1CYP17A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6333336-B1 | GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION | MERCK SHARP & DOHME LTD. (GB) | 2001-12-25 | — | — | US | disclosed |
| EP-1064283-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999048892-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-09-30 | — | — | WO | disclosed |