Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.52 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.52 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 8/20 | 0.42 |
| ▸ | ACHE | P22303 | 7/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4747432 | 1.00 | ESR1 (0.55) | ESR1CYP2D6CYP19A1ESR2PSMB1 | |
| SCHEMBL28685837 | 0.88 | CYP2D6 (0.66) | ESR1CYP2D6CYP19A1ESR2PSMB1 | |
| SCHEMBL10384122 | 0.80 | HRH3 (0.53) | DRD2DRD4DRD3 | |
| SCHEMBL7390013 | 0.80 | HRH3 (0.53) | DRD2DRD4DRD3 | |
| SCHEMBL6752147 | 0.80 | HRH3 (0.53) | DRD2DRD4DRD3 | |
| SCHEMBL7621718 | 0.80 | HRH3 (0.53) | DRD2DRD4DRD3 | |
| SCHEMBL1172364 | 0.78 | DRD4 (0.53) | DRD2DRD4DRD3 | |
| SCHEMBL14960838 | 0.78 | ESR1 (0.67) | ESR1CYP2D6CYP19A1ESR2PTGS2 | |
| SCHEMBL8641043 | 0.77 | CYP2D6 (0.67) | ESR1CYP2D6CYP19A1ESR2BCHE | |
| SCHEMBL8641052 | 0.77 | CYP2D6 (0.67) | ESR1CYP2D6CYP19A1ESR2BCHE |
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-2008107320-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS | CEREP (FR) | 2008-09-12 | — | — | WO | disclosed |