Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 18/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP11A1 | P05108 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7908682 | 0.84 | MMP2 (0.38) | CYP19A1MMP1MMP2MMP9ADAM17 | |
| SCHEMBL7907214 | 0.81 | MMP2 (0.46) | MMP2MMP9 | |
| SCHEMBL17055004 | 0.79 | CYP19A1 (0.57) | CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1 | |
| SCHEMBL17055305 | 0.79 | CYP19A1 (0.57) | CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1 | |
| SCHEMBL17055197 | 0.79 | CYP19A1 (0.57) | CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1 | |
| SCHEMBL17055195 | 0.70 | BACE1 (0.44) | CYP19A1 | |
| SCHEMBL5926028 | 0.70 | MMP2 (0.42) | CYP3A4MMP1MMP2MMP9ADAM17 | |
| SCHEMBL22147753 | 0.69 | KMT2A (0.56) | MMP1MMP2MMP9ADAM17 | |
| SCHEMBL16703117 | 0.68 | PER2 (0.39) | — | |
| SCHEMBL23423634 | 0.67 | GAA (0.51) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6197975-B1 | 7-AZABICYCLO(2.2.1)HEPTANE-7-CARBONYL-SUBSTITUTED 2-PHENYLINDOLE DERIVATIVES; SEXUAL DISORDERS; ANTICARCINOGENIC AGENTS | MERCK & CO. , INC. | 2001-03-06 | — | — | US | disclosed |
| 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 |