Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8746293 | 0.84 | KDM1A (0.44) | CYP3A4CYP11B2CYP11B1CYP17A1BACE1 | |
| SCHEMBL8746261 | 0.81 | KDM1A (0.47) | CYP3A4CYP11B2CYP11B1CYP17A1SYK | |
| SCHEMBL17028624 | 0.69 | PGR (0.48) | CYP3A4CYP11B2CYP11B1CYP17A1SYK | |
| SCHEMBL16198401 | 0.67 | SYK (0.37) | CYP3A4CYP11B2CYP11B1CYP17A1SYK | |
| SCHEMBL30558325 | 0.66 | APP (0.39) | CYP3A4CYP11B2CYP11B1CYP17A1APP | |
| SCHEMBL17361959 | 0.66 | APP (0.39) | CYP3A4CYP11B2CYP11B1CYP17A1APP | |
| SCHEMBL14053361 | 0.66 | APP (0.40) | CYP3A4CYP11B2CYP11B1CYP17A1APP | |
| SCHEMBL2016698 | 0.66 | BACE1 (0.43) | APPBACE1PARP1 | |
| SCHEMBL14053247 | 0.65 | BACE1 (0.38) | SYKAPPBACE1PARP1 | |
| SCHEMBL13900252 | 0.65 | CYP3A4 (0.45) | CYP3A4CYP11B2CYP11B1CYP17A1SYK |
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-5378721-A | AROMATASE INHIBITORS | CIBA-GEIGY CORPORATION (US) | 1995-01-03 | — | — | US | disclosed |
| US-5246952-A | Antitumor agents | CIBA-GEIGY CORPORATION (US) | 1993-09-21 | — | — | US | disclosed |
| EP-0477141-A1 | Heteroarylmethylbenzols aromatase inhibitors | CIBA-GEIGY AG (CH) | 1992-03-25 | — | — | EP | disclosed |