Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 15/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 8/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3206559 | 0.77 | CYP11B2 (0.44) | CYP19A1CYP11B2CYP11B1KCNH2 | |
| SCHEMBL2350719 | 0.72 | CYP19A1 (0.69) | CYP19A1CYP11B2CYP11B1KCNH2 | |
| SCHEMBL12459330 | 0.72 | CYP19A1 (0.51) | CYP19A1CYP11B2CYP11B1KCNH2 | |
| SCHEMBL14585840 | 0.72 | CYP19A1 (0.55) | CYP19A1CYP11B2CYP11B1KCNH2 | |
| SCHEMBL27283098 | 0.72 | CYP19A1 (0.55) | CYP19A1CYP11B2CYP11B1KCNH2 | |
| SCHEMBL10974976 | 0.70 | CYP19A1 (0.60) | CYP19A1CYP11B2CYP11B1KCNH2 | |
| Hydrochloric Acid SCHEMBL11065811 | 0.69 | CYP19A1 (0.58) | CYP19A1CYP11B2 | |
| SCHEMBL2354913 | 0.68 | CYP19A1 (0.67) | CYP19A1CYP11B2CYP11B1KCNH2 | |
| SCHEMBL31446922 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL3385227 | 0.66 | CYP19A1 (0.59) | CYP19A1CYP11B2CYP11B1KCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006005725-A2 | N CONTAINING CONDENSED HETEROCYCLES WITH ANTITUMOR EFFECTS | SPEEDEL EXPERIMENTA AG (CH) | 2006-01-19 | — | — | WO | disclosed |