Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | VNN1 | O95497 | 3/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | SMO | Q99835 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6526163 | 0.90 | CYP19A1 (0.41) | CYP19A1MAOBESR1ESR2 | |
| SCHEMBL6527102 | 0.86 | TRPA1 (0.40) | CYP19A1PTGDR2KDM1AMAOBRPS6KB1 | |
| SCHEMBL6522652 | 0.85 | CYP19A1 (0.42) | CYP19A1KIF11VNN1TRPM8PTGDR2 | |
| SCHEMBL9159563 | 0.75 | KIF11 (0.47) | CYP19A1KIF11VNN1TRPM8PTGDR2 | |
| SCHEMBL30525997 | 0.73 | ESR1 (0.52) | CYP19A1CYP3A4KCNH2ESR1ESR2 | |
| SCHEMBL5925447 | 0.70 | CYP19A1 (0.51) | CYP19A1KIF11CYP3A4 | |
| SCHEMBL690958 | 0.69 | HRH3 (0.54) | CYP19A1MAOB | |
| SCHEMBL28224476 | 0.69 | IDO1 (0.43) | MAOB | |
| SCHEMBL19877208 | 0.68 | KCNJ1 (0.42) | CYP19A1MAOBKCNH2DAO | |
| Hydrochloric Acid SCHEMBL690028 | 0.68 | HRH3 (0.53) | CYP19A1MAOB |
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-1534265-A1 | COMBINATION OF AN AROMATASE INHIBITOR WITH A BISPHOSPHONATE | Novartis AG (CH) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004012728-A1 | COMBINATION OF AN AROMATASE INHIBITOR WITH A BISPHOSPHONATE | NOVARTIS AG (CH) | 2004-02-12 | — | — | WO | disclosed |