Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 13/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP11A1 | P05108 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22728952 | 0.71 | CYP19A1 (0.39) | CYP19A1NPSR1 | |
| SCHEMBL27035682 | 0.69 | CYP19A1 (0.57) | CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1 | |
| SCHEMBL6124723 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL26618937 | 0.68 | CYP19A1 (0.33) | CYP19A1NPSR1 | |
| SCHEMBL21426014 | 0.67 | CYP19A1 (0.31) | CYP19A1 | |
| SCHEMBL25134507 | 0.67 | — | — | |
| SCHEMBL7448243 | 0.67 | — | — | |
| SCHEMBL17054781 | 0.66 | CYP19A1 (0.70) | CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1 | |
| SCHEMBL17980313 | 0.65 | — | — | |
| SCHEMBL17054753 | 0.64 | CYP19A1 (0.66) | CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0882040-A4 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO INC (US) | 1999-02-10 | — | — | EP | disclosed |
| EP-0882040-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | Merck & Co., Inc. (US) | 1998-12-09 | — | — | EP | disclosed |
| WO-1997021707-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO., INC. (US) | 1997-06-19 | — | — | WO | disclosed |