Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.54 |
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
| ▸ | YES1 | P07947 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1933778 | 1.00 | CYP19A1 (0.60) | CYP19A1MAOAMAOBPSMB5AR | |
| SCHEMBL4365834 | 0.88 | AR (0.54) | CYP19A1MAOAMAOBPSMB5AR | |
| SCHEMBL5744717 | 0.84 | AR (0.52) | CYP19A1MAOAMAOBPSMB5AR | |
| SCHEMBL1933397 | 0.84 | CYP19A1 (0.44) | CYP19A1MAOAMAOBARMEN1 | |
| SCHEMBL10365101 | 0.83 | CYP19A1 (0.53) | CYP19A1MAOAMAOBPSMB5AR | |
| SCHEMBL30064231 | 0.82 | CYP19A1 (0.45) | CYP19A1MAOAMAOBPSMB5AR | |
| SCHEMBL1267388 | 0.82 | CYP19A1 (0.45) | CYP19A1MAOAMAOBPSMB5AR | |
| SCHEMBL380283 | 0.82 | CYP19A1 (0.45) | CYP19A1MAOAMAOBPSMB5AR | |
| SCHEMBL25567835 | 0.81 | CYP3A4 (0.50) | CYP19A1MAOAMAOBPSMB5AR | |
| SCHEMBL4367671 | 0.81 | ESR1 (0.51) | CYP19A1ARCYP3A4ESR2ESR1 |
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-2003013554-A2 | AROMATASE INHIBITORS FROM BROUSSONETIA PAPYRIFERA | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2003-02-20 | — | — | WO | disclosed |