Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 13/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | FKBP1A | P62942 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5792445 | 0.78 | CYP19A1 (0.47) | CYP19A1CYP11B2CYP11B1KCNH2 | |
| SCHEMBL26186637 | 0.76 | ALDH1A1 (0.39) | CYP19A1KDM4EALDH1A1FKBP1A | |
| Hydrochloric Acid SCHEMBL9260941 | 0.73 | CYP19A1 (1.00) | CYP19A1CYP11B2CYP11B1KCNH2 | |
| SCHEMBL16546878 | 0.68 | FKBP1A (0.42) | KDM4EALDH1A1FKBP1A | |
| SCHEMBL14585840 | 0.68 | CYP19A1 (0.55) | CYP19A1CYP11B2CYP11B1KCNH2 | |
| SCHEMBL28627227 | 0.68 | ALDH1A1 (0.42) | KDM4EALDH1A1 | |
| SCHEMBL8266942 | 0.67 | ALDH1A1 (0.43) | KDM4EALDH1A1FKBP1A | |
| SCHEMBL30867234 | 0.67 | FKBP1A (0.41) | KDM4EALDH1A1FKBP1A | |
| SCHEMBL14486939 | 0.66 | ALDH1A1 (0.40) | KDM4EALDH1A1FKBP1A | |
| SCHEMBL4190222 | 0.66 | KMT2A (0.37) | CYP19A1KDM4EALDH1A1 |
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 |