Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL5496482 | 1.00 | BACE1 (0.46) | BACE1SIGMAR1CYP2D6HRH3CHRM3 | |
| SCHEMBL7235979 | 0.93 | SIGMAR1 (0.51) | BACE1SIGMAR1CYP2D6KDM4ECYP1A2 | |
| SCHEMBL6620370 | 0.89 | SIGMAR1 (0.53) | BACE1SIGMAR1CYP2D6KDM4ECYP1A2 | |
| SCHEMBL11482798 | 0.87 | SIGMAR1 (0.51) | BACE1SIGMAR1 | |
| SCHEMBL7754129 | 0.84 | CARM1 (0.55) | BACE1SIGMAR1CYP2D6KDM4ECYP1A2 | |
| SCHEMBL5490828 | 0.81 | OPRM1 (0.44) | BACE1SIGMAR1HRH3CHRM3 | |
| SCHEMBL8050788 | 0.79 | BACE1 (0.54) | BACE1SIGMAR1CYP2D6KDM4ECYP1A2 | |
| SCHEMBL8054450 | 0.79 | HTR2A (0.51) | BACE1SIGMAR1CYP2D6KDM4ECYP1A2 | |
| SCHEMBL14198387 | 0.76 | DRD2 (0.60) | BACE1SIGMAR1CYP2D6KDM4ECYP1A2 | |
| SCHEMBL9074777 | 0.76 | HTR2A (0.56) | BACE1SIGMAR1CYP2D6KDM4ECYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1066259-A1 | BIOCIDAL BENZYLBIPHENYL DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-01-10 | — | — | EP | disclosed |
| WO-1999051578-A1 | BIOCIDAL BENZYLBIPHENYL DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-10-14 | — | — | WO | disclosed |