Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.52 |
| ▸ | MAOB | P27338 | 5/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28085548 | 0.87 | ESR1 (0.73) | ESR1 | |
| SCHEMBL28085547 | 0.86 | KDM4E (0.58) | ESR1CYP19A1MAOBACHEMAOA | |
| SCHEMBL28085538 | 0.86 | ESR1 (0.54) | ESR1CYP19A1MAOBACHEMAOA | |
| SCHEMBL28085659 | 0.85 | ESR1 (0.58) | ESR1MAOB | |
| SCHEMBL28085675 | 0.80 | MAOB (0.65) | CYP19A1MAOBACHEMAOA | |
| SCHEMBL7115073 | 0.79 | ALDH1A1 (0.56) | CYP19A1MAOBACHE | |
| SCHEMBL28085539 | 0.77 | CYP19A1 (0.59) | ESR1CYP19A1MAOBACHEMAOA | |
| SCHEMBL28085670 | 0.75 | ESR1 (0.73) | ESR1 | |
| SCHEMBL6690691 | 0.75 | ALDH1A1 (0.75) | MAOBACHE | |
| SCHEMBL28832577 | 0.73 | ESR1 (0.65) | ESR1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-105801544-A | 3-aryl-4-arylamine-coumarin derivative and preparing method and medical application thereof | 中国药科大学 | 2016-07-27 | — | — | CN | disclosed |